SCHEMBL30170549

SCHEMBL30170549

Cc1cc(Cc2c[nH]c3ncc(Cl)cc23)cnc1NCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.81
CSF1R P07333 3/20 0.73
KIT P10721 2/20 0.73
LCK P06239 1/20 0.73
PGR P06401 1/20 0.73
CHRM2 P08172 1/20 0.73
HTR1A P08908 1/20 0.73
ADRA2A P08913 1/20 0.73
PDGFRB P09619 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CHRM1 P11229 1/20 0.73
PDGFRA P16234 1/20 0.73
FLT1 P17948 1/20 0.73
DRD1 P21728 1/20 0.73
TBXA2R P21731 1/20 0.73
SLC6A2 P23975 1/20 0.73
ADORA1 P30542 1/20 0.73
SLC6A4 P31645 1/20 0.73
ADRA1A P35348 1/20 0.73
OPRM1 P35372 1/20 0.73

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
SCHEMBL1883690 0.91 CYP2C9 (0.84) CYP2C9CSF1RKITLCKPGR
SCHEMBL1891050 0.90 CYP2C9 (1.00) CYP2C9CSF1RKITLCKPGR
SCHEMBL1266891 0.86 CSF1R (0.81) CYP2C9CSF1RKITLCKPGR
Pexidartinib SCHEMBL1267310 0.85 CSF1R (1.00) CYP2C9CSF1RKITLCKPGR
Pexidartinib SCHEMBL29361827 0.85 CSF1R (1.00) CYP2C9CSF1RKITLCKPGR
Pexidartinib SCHEMBL29380288 0.85 CSF1R (1.00) CYP2C9CSF1RKITLCKPGR
Pexidartinib SCHEMBL29360304 0.84 CSF1R (0.98) CYP2C9CSF1RKITLCKPGR
Pexidartinib SCHEMBL29772694 0.84 CSF1R (0.98) CYP2C9CSF1RKITLCKPGR
Pexidartinib SCHEMBL18207396 0.84 CSF1R (0.98) CYP2C9CSF1RKITLCKPGR
Pexidartinib SCHEMBL28365567 0.83 CSF1R (0.93) CYP2C9CSF1RKITLCKPGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4355732-A1 PROCESS FOR PREPARING PEXIDARTINIB Johnson Matthey Public Limited Company (GB) 2024-04-24 EP disclosed
WO-2022263801-A1 PROCESS FOR PREPARING PEXIDARTINIB JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2022-12-22 WO disclosed