SCHEMBL22677044

SCHEMBL22677044

C=C(C)CN(C)c1ccc(-c2c(-c3ccc(Oc4cccc(C)n4)cc3)c3c(N)ncnc3n2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ BTK Q06187 11/20 0.38
▸ LCK P06239 6/20 0.36
▸ TEK Q02763 5/20 0.36
▸ KDR P35968 4/20 0.36
▸ EGFR P00533 2/20 0.35
▸ ITK Q08881 2/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BLK P51451 2/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ RET P07949 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ FLT3 P36888 1/20 0.35

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
SCHEMBL22675776 0.87 CYP3A4 (0.48) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30303304 0.84 BTK (0.45) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22676642 0.84 BTK (0.45) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22675976 0.83 FGFR1 (0.53) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30303360 0.83 FGFR1 (0.53) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30303590 0.81 FGFR1 (0.65) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22675924 0.81 FGFR1 (0.65) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30303931 0.78 FGFR1 (0.51) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22675771 0.78 FGFR1 (0.51) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL25716101 0.78 LCK (0.40) CYP3A4CYP2D6FGFR1CYP2C9FGFR2

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-4306529-A2 FGFR INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-01-17 — — EP disclosed
WO-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 — — WO disclosed
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