SCHEMBL29979963

SCHEMBL29979963

Cn1cc(-c2cccc(N)c2)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 3/20 0.48
KDR P35968 2/20 0.48
EPHB4 P54760 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
MECP2 P51608 1/20 0.45
METAP2 P50579 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.43
GFER P55789 1/20 0.43
TP53 P04637 1/20 0.43
MAOA P21397 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13886476 1.00 TEK (0.48) TEKKDREPHB4TSHRRECQL
SCHEMBL13872400 0.87 HSD17B1 (0.44) TEKKDRKDM4EBRD4
SCHEMBL12277854 0.81 TEK (0.53) TEKKDREPHB4TSHRALDH1A1
SCHEMBL14987759 0.80 TEK (0.55) TEKKDREPHB4NPC1RAB9A
SCHEMBL19535125 0.79 KDR (0.48) TEKKDREPHB4TSHRMEN1
SCHEMBL2659922 0.79 KEAP1 (0.46) TSHRALDH1A1KDM4EMEN1MAPT
SCHEMBL13220233 0.79 MECP2 (0.49) TEKKDREPHB4TSHRRECQL
SCHEMBL2742892 0.79 CHRNB2 (0.49) KDM4EMEN1MAPTKMT2ACA12
SCHEMBL16264699 0.79 TEK (0.57) TEKKDREPHB4TSHRRECQL
SCHEMBL29980249 0.79 TEK (0.45) TEKKDREPHB4TSHRRECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115701996-B Combination of CBP/p300 bromodomain inhibitors and EGFR inhibitors for the treatment of EGFR mutant NSCLC 托雷莫治疗股份公司 2024-12-24 CN disclosed
EP-4320109-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER Tolremo Therapeutics AG (CH) 2024-02-14 EP disclosed
CN-117355512-A Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer 托雷莫治疗股份公司 2024-01-05 CN disclosed
CN-116113417-A Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment, amelioration or prevention of fibrotic diseases 托雷莫治疗股份公司 2023-05-12 CN disclosed
EP-4171557-A1 COMBINATION OF A CBP/P300 BROMODOMAIN INHIBITOR AND A KRAS INHIBITOR FOR THE TREATMENT OF CANCER Tolremo Therapeutics AG (CH) 2023-05-03 EP disclosed
EP-4171556-A1 A COMBINATION OF A CBP/P300 BROMODOMAIN INHIBITOR AND AN EGFR INHIBITOR FOR USE IN TREATING EGFR-MUTANT NSCLC Tolremo Therapeutics AG (CH) 2023-05-03 EP disclosed
EP-4171562-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF FIBROTIC DISEASE Tolremo Therapeutics AG (CH) 2023-05-03 EP disclosed
CN-115996717-A Combination of CBP/P300 bromodomain inhibitors and KRAS inhibitors for the treatment of cancer 托雷莫治疗股份公司 2023-04-21 CN disclosed
CN-115701996-A Combination of a CBP/p300 bromodomain inhibitor and an EGFR inhibitor for the treatment of EGFR mutant NSCLC 托雷莫治疗股份公司 2023-02-14 CN disclosed
CN-115697974-A Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2023-02-03 CN disclosed
WO-2022214606-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2022-10-13 WO disclosed