SCHEMBL31411040

SCHEMBL31411040

Cc1cccc(Oc2ccc(-c3c(C4=CCNC4)n(C)c4ncnc(N)c34)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.41
TEK Q02763 10/20 0.41
KDR P35968 9/20 0.41
NUDT14 O95848 1/20 0.37
NUDT5 Q9UKK9 1/20 0.37
BTK Q06187 7/20 0.36
SRC P12931 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
FGFR1 P11362 1/20 0.36
CYP2C9 P11712 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLK P51451 2/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
RET P07949 1/20 0.35
PDGFRB P09619 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
SCHEMBL22678110 1.00 LCK (0.41) LCKTEKKDRNUDT14NUDT5
SCHEMBL22678109 0.84 LCK (0.41) LCKTEKKDRNUDT14NUDT5
SCHEMBL25716101 0.81 LCK (0.40) LCKTEKKDRNUDT14NUDT5
SCHEMBL28690923 0.81 BTK (0.41) LCKTEKKDRBTKCYP3A4
SCHEMBL22658774 0.79 TNK2 (0.42) LCKTEKKDRBTKSRC
SCHEMBL29407673 0.79 TNK2 (0.42) LCKTEKKDRBTKSRC
SCHEMBL25716098 0.79 LCK (0.45) LCKTEKKDRNUDT14NUDT5
SCHEMBL22676263 0.78 CYP3A4 (0.43) LCKTEKKDRBTKCYP3A4
SCHEMBL30303701 0.78 BTK (0.43) BTKBLKEGFRERBB2RET
SCHEMBL22676689 0.78 BTK (0.43) BTKBLKEGFRERBB2RET

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
CN-119874707-A FGFR inhibitors and methods of use thereof 传达治疗有限公司 2025-04-25 CN disclosed
CN-114126620-B FGFR inhibitors and methods of use thereof 传达治疗有限公司 2024-12-31 CN disclosed