SCHEMBL14193692

SCHEMBL14193692

COc1cnc2[nH]cc(CC3=CN=C(NCC4C=CC(C(F)(F)F)=CC4)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.44
▸ CYP3A4 P08684 6/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ MTNR1A P48039 2/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ KIT P10721 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ AURKC Q9UQB9 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
SCHEMBL14197567 0.81 CSF1R (0.64) CSF1RCYP3A4CYP1A2MTNR1AMTNR1B
SCHEMBL14196178 0.70 CSF1R (0.49) CSF1RCYP3A4CYP1A2CYP2C9KIT
SCHEMBL14197870 0.69 CSF1R (0.49) CSF1RCYP3A4CYP1A2CYP2C9KIT
SCHEMBL14198421 0.69 CSF1R (0.56) CSF1RCYP3A4CYP1A2MTNR1AMTNR1B
SCHEMBL14196170 0.68 CSF1R (0.48) CSF1RCYP3A4CYP1A2CYP2C9KIT
SCHEMBL14197568 0.68 CYP2C19 (0.48) CSF1RCYP3A4CYP1A2CYP2C9KIT
SCHEMBL14196173 0.68 CSF1R (0.61) CSF1RCYP3A4CYP1A2CYP2C9KIT
SCHEMBL14197363 0.66 CYP3A4 (0.54) CSF1RCYP3A4CYP1A2CYP2C9KIT
SCHEMBL14198419 0.64 CSF1R (0.61) CSF1RCYP3A4KITKDRFLT3
SCHEMBL14194089 0.63 CYP3A4 (0.47) CSF1RCYP3A4CYP1A2MTNR1ACYP2C9

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
WO-2008063888-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 — — WO disclosed
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