SCHEMBL29492798

SCHEMBL29492798

COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3-c2ccccc2)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 19/20 1.00
▸ PIK3CA P42336 17/20 1.00
▸ MTOR P42345 8/20 0.88
▸ PIK3CD O00329 2/20 0.68
▸ PIK3CB P42338 2/20 0.68
▸ PIK3CG P48736 2/20 0.68
▸ ATM Q13315 2/20 0.68
▸ CSF1R P07333 1/20 0.68
▸ MAPK9 P45984 1/20 0.68
▸ MAPK10 P53779 1/20 0.68

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
SCHEMBL24270652 1.00 PRKDC (1.00) PRKDCPIK3CAMTORPIK3CDPIK3CB
SCHEMBL24270869 0.94 PRKDC (1.00) PRKDCPIK3CAMTORPIK3CDPIK3CB
SCHEMBL29492733 0.94 PRKDC (1.00) PRKDCPIK3CAMTORPIK3CDPIK3CB
SCHEMBL29492775 0.91 PRKDC (1.00) PRKDCPIK3CAMTORPIK3CDPIK3CB
SCHEMBL24270835 0.91 PRKDC (1.00) PRKDCPIK3CAMTORPIK3CDPIK3CB
SCHEMBL24270482 0.90 PRKDC (1.00) PRKDCPIK3CAMTORPIK3CDPIK3CB
SCHEMBL29492675 0.90 PRKDC (1.00) PRKDCPIK3CAMTORPIK3CDPIK3CB
SCHEMBL24270470 0.89 PRKDC (0.93) PRKDCPIK3CAMTORPIK3CDPIK3CB
SCHEMBL29492684 0.89 PRKDC (0.93) PRKDCPIK3CAMTORPIK3CDPIK3CB
SCHEMBL24270571 0.89 PIK3CA (0.83) PRKDCPIK3CAMTORPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669725-A Novel aminopyridine and use thereof in the treatment of cancer 奥克兰联合服务有限公司 2023-08-29 — — CN disclosed
EP-4217357-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER Auckland Uniservices Limited (NZ) 2023-08-02 — — EP disclosed
WO-2022064430-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2022-03-31 — — WO disclosed
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