SCHEMBL22676897

SCHEMBL22676897

CCC(=O)Nc1ccc(-c2c(-c3ccc(Oc4ncc(C)cn4)c(F)c3)c3c(N)ncnc3n2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.63
▸ FGFR2 P21802 2/20 0.63
▸ FGFR4 P22455 2/20 0.63
▸ FGFR3 P22607 2/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ JAK2 O60674 3/20 0.42
▸ AXL P30530 7/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ BTK Q06187 1/20 0.38
▸ KDR P35968 3/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ IKBKE Q14164 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ MET P08581 3/20 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
SCHEMBL30303784 0.88 FGFR1 (0.80) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22675743 0.88 FGFR1 (0.80) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22676164 0.85 FGFR1 (0.51) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22676509 0.83 FGFR1 (0.49) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL30303752 0.83 FGFR1 (0.78) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22676429 0.83 FGFR1 (0.78) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL30303411 0.83 FGFR1 (0.55) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22676260 0.83 FGFR1 (0.55) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22676428 0.81 FGFR1 (0.76) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22675739 0.81 FGFR1 (0.51) FGFR1FGFR2FGFR4FGFR3CYP3A4

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-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 — — WO disclosed
Send feedback