SCHEMBL30956563

SCHEMBL30956563

COC(=O)c1cccc(-c2ccnc(Cl)n2)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.48
SLC6A3 Q01959 4/20 0.48
SLC6A4 P31645 3/20 0.48
ALDH1A1 P00352 2/20 0.40
SLC6A2 P23975 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PSMD14 O00487 1/20 0.38
MAPT P10636 1/20 0.38
PTPRC P08575 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B14 Q9BPX1 1/20 0.37

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
SCHEMBL31118842 0.87 SLC6A3 (0.56) SLC6A3SLC6A4ALDH1A1SLC6A2PDCD1
SCHEMBL25334594 0.87 SLC6A3 (0.56) SLC6A3SLC6A4ALDH1A1SLC6A2PDCD1
SCHEMBL22090261 0.84 KMO (0.59) KMOMRGPRX4SMN1; SMN2KDM4EHSD17B14
SCHEMBL30956389 0.83 SLC6A4 (0.43) SLC6A3SLC6A4ALDH1A1SMN1; SMN2NPC1
SCHEMBL19923176 0.80 SLC6A3 (0.59) SLC6A3SLC6A4ALDH1A1SLC6A2SMN1; SMN2
SCHEMBL3551797 0.79 SLC6A3 (0.52) SLC6A3SLC6A4ALDH1A1SLC6A2SMN1; SMN2
SCHEMBL30956592 0.79 MRGPRX4 (0.41) SLC6A3SLC6A4ALDH1A1SLC6A2MRGPRX4
SCHEMBL30956571 0.79 SLC6A4 (0.41) SLC6A3SLC6A4ALDH1A1SLC6A2MRGPRX4
SCHEMBL23943387 0.78 KDM1A (0.46) KMOALDH1A1CD274KDM4ECDK9
SCHEMBL30956550 0.78 SLC6A4 (0.40) SLC6A3SLC6A4ALDH1A1SLC6A2MRGPRX4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118999-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-12-13 CN disclosed
CN-118955477-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-15 CN disclosed
CN-118903141-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-118903142-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-113227074-B Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-08-16 CN disclosed
CN-118388457-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed