SCHEMBL4627978

SCHEMBL4627978

Clc1cnc2[nH]cc(Cc3cnc(NCCn4cccc4)nc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.57
▸ CYP2C9 P11712 8/20 0.57
▸ CYP2C19 P33261 5/20 0.49
▸ CYP2D6 P10635 1/20 0.48
▸ LCK P06239 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ ADORA1 P30542 1/20 0.46

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
SCHEMBL1266873 0.84 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL1267531 0.81 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL1891225 0.81 CYP2C9 (0.62) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL1267532 0.80 CYP2C9 (0.67) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL1266602 0.80 CYP2C9 (0.64) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL1267424 0.80 CYP2C9 (0.70) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL1885140 0.80 CYP2C9 (0.58) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL1890062 0.80 CYP2C9 (0.58) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL1266686 0.78 CYP2C9 (0.74) CYP3A4CYP2C9CYP2C19CYP2D6LCK
SCHEMBL1266731 0.78 CYP2C9 (0.62) CYP3A4CYP2C9CYP2C19CYP2D6LCK

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-2008064265-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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