SCHEMBL21873027

SCHEMBL21873027

COc1nc(N(C)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ncc1-c1ccc(Cc2c[nH]c3ncc(C)cc23)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 16/20 0.38
▸ CYP2C9 P11712 10/20 0.38
▸ KIT P10721 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ AURKC Q9UQB9 2/20 0.38
▸ CYP2C19 P33261 4/20 0.37
▸ CSF1R P07333 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
SCHEMBL21873058 0.93 CYP3A4 (0.38) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL21873088 0.89 PDPK1 (0.39) —
SCHEMBL21873021 0.86 CYP2C9 (0.33) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL21873144 0.84 KIT (0.43) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL21873033 0.84 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19
SCHEMBL21872994 0.83 CYP2C9 (0.36) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL21873020 0.82 PDPK1 (0.40) —
SCHEMBL21872974 0.82 CYP2C9 (0.33) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL21873014 0.81 AURKA (0.40) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL21872978 0.78 CYP3A4 (0.42) CYP3A4CYP2C9KITKDRFLT3

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-3643715-A1 NITROGEN HETEROARYL DERIVATIVE HAVING CSF1R INHIBITORY ACTIVITY, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2020-04-29 — — EP disclosed
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