SCHEMBL29637461

SCHEMBL29637461

Cc1nc2nc(C)c(C[C@@H]3CCN(c4cnc(Br)c(C)n4)C3)c(C)n2n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.58
KCNH2 Q12809 3/20 0.57
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAP4K4 O95819 1/20 0.32
PTPN11 Q06124 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL21551673 1.00 SLC16A3 (0.58) SLC16A3KCNH2KDM4ETSHRHSD17B10
SCHEMBL21551671 1.00 SLC16A3 (0.58) SLC16A3KCNH2KDM4ETSHRHSD17B10
SCHEMBL21550478 0.88 SLC16A3 (0.62) SLC16A3KCNH2KDM4ETSHRHSD17B10
SCHEMBL29637406 0.88 SLC16A3 (0.62) SLC16A3KCNH2KDM4ETSHRHSD17B10
SCHEMBL21550479 0.88 SLC16A3 (0.62) SLC16A3KCNH2KDM4ETSHRHSD17B10
SCHEMBL21551528 0.85 SLC16A3 (0.59) SLC16A3KCNH2KDM4ETSHRHSD17B10
SCHEMBL21551527 0.85 SLC16A3 (0.59) SLC16A3KCNH2KDM4ETSHRHSD17B10
SCHEMBL21557901 0.84 SLC16A3 (0.59) SLC16A3KCNH2KDM4ETSHRHSD17B10
SCHEMBL21557902 0.84 SLC16A3 (0.59) SLC16A3KCNH2KDM4ETSHRHSD17B10
SCHEMBL23116358 0.83 SLC16A3 (0.55) SLC16A3KCNH2KDM4ETSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028637-B Triazolopyrimidine compounds and their use for the treatment of cancer 迪哲(江苏)医药股份有限公司 2024-03-22 CN disclosed
CN-115028637-A Triazolopyrimidine compounds and their use for the treatment of cancer 迪哲(江苏)医药股份有限公司 2022-09-09 CN disclosed
CN-115028636-A Triazolopyrimidine compounds and their use for the treatment of cancer 迪哲(江苏)医药股份有限公司 2022-09-09 CN disclosed
EP-3790879-B1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2022-06-29 EP disclosed
CN-112469721-B Triazolopyrimidine compounds and their use for the treatment of cancer 迪哲(江苏)医药股份有限公司 2022-06-07 CN disclosed