SCHEMBL30689457

SCHEMBL30689457

C[C@@H]1CC(c2nnc3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)c(C(F)(F)F)c5)nc4n23)C[C@H](C)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 10/20 0.36
▸ PIK3CB P42338 8/20 0.36
▸ CDK4 P11802 2/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ ATR Q13535 8/20 0.35
▸ ATRIP Q8WXE1 8/20 0.35
▸ ATM Q13315 7/20 0.34
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ RPS6KB1 P23443 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ MTOR P42345 3/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MET P08581 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL21541721 1.00 PRKDC (0.36) PRKDCPIK3CBCDK4CSF1RCDK6
SCHEMBL21541860 0.90 PRKDC (0.47) PRKDCPIK3CBCDK4CSF1RCDK6
SCHEMBL21541743 0.88 PRKDC (0.47) PRKDCPIK3CBCDK4CSF1RCDK6
SCHEMBL21541857 0.87 CDK4 (0.35) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL21541733 0.86 CDK4 (0.37) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL21541716 0.83 CDK4 (0.34) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL21541808 0.83 S1PR1 (0.37) CDK4CSF1RCDK6PDE3BPDE3A
SCHEMBL21541779 0.81 CDK4 (0.35) CDK4CSF1RCDK6ATRATM
SCHEMBL29558902 0.81 CDK4 (0.35) CDK4CSF1RCDK6ATRATM
SCHEMBL21541837 0.81 PRKDC (0.47) PRKDCPIK3CBCDK4CSF1RCDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 — — EP disclosed
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