SCHEMBL29558902

SCHEMBL29558902

C[C@@H]1CN(c2nnc3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)c(C(F)(F)F)c5)nc4n23)C[C@H](C)N1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ CCNA2 P20248 6/20 0.34
▸ CDK2 P24941 6/20 0.34
▸ CCNA1 P78396 6/20 0.34
▸ ATM Q13315 3/20 0.33
▸ CCND3 P30281 3/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ ATR Q13535 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ PIM1 P11309 2/20 0.33

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
SCHEMBL21541779 1.00 CDK4 (0.35) CDK4CSF1RCDK6CCNA2CDK2
SCHEMBL21541746 0.93 CDK4 (0.37) CDK4CSF1RCDK6CCNA2CDK2
SCHEMBL21541733 0.93 CDK4 (0.37) CDK4CSF1RCDK6CCNA2CDK2
SCHEMBL21541766 0.92 EML4 (0.34) CDK4CSF1RCDK6CCNA2CDK2
SCHEMBL27132009 0.92 EML4 (0.34) CDK4CSF1RCDK6CCNA2CDK2
SCHEMBL21541749 0.92 CSF1R (0.37) CDK4CSF1RCDK6CCNA2CDK2
SCHEMBL21541716 0.92 CDK4 (0.34) CDK4CSF1RCDK6CCNA2CDK2
SCHEMBL21541857 0.91 CDK4 (0.35) CDK4CSF1RCDK6CCNA2CDK2
SCHEMBL21541800 0.91 MELK (0.35) ATMATRMTORPIK3CAMET
SCHEMBL21541763 0.90 CCNA2 (0.34) CDK4CCNA2CDK2CCNA1CCND3

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-A9 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-04-20 — — EP disclosed
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