SCHEMBL21872974

SCHEMBL21872974

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 6/20 0.33
▸ CYP3A4 P08684 6/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ KIT P10721 2/20 0.31
▸ KDR P35968 2/20 0.31
▸ FLT3 P36888 2/20 0.31
▸ AURKC Q9UQB9 2/20 0.31
▸ CSF1R P07333 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL21873021 0.86 CYP2C9 (0.33) CYP2C9CYP3A4CYP1A2KITKDR
SCHEMBL21872993 0.85 CYP2C9 (0.38) CYP2C9CYP3A4CYP1A2KITKDR
SCHEMBL21873027 0.82 CYP3A4 (0.38) CYP2C9CYP3A4KITKDRFLT3
SCHEMBL21873058 0.81 CYP3A4 (0.38) CYP2C9CYP3A4CYP1A2KITKDR
SCHEMBL21872994 0.78 CYP2C9 (0.36) CYP2C9CYP3A4CYP1A2KITKDR
SCHEMBL21906349 0.77 CYP2C9 (0.33) CYP2C9CYP3A4CYP1A2
SCHEMBL21873088 0.77 PDPK1 (0.39) —
SCHEMBL21873033 0.76 CYP3A4 (0.36) CYP2C9CYP3A4CYP2C19
SCHEMBL21873005 0.75 CYP2C9 (0.39) CYP2C9CYP3A4CYP1A2KITKDR
SCHEMBL21872977 0.74 CYP2C9 (0.38) CYP2C9CYP3A4CYP1A2KITKDR

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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