SCHEMBL29847633

SCHEMBL29847633

C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCN(C)CC5)c(F)c4F)nc23)c1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.84
KDR P35968 3/20 0.84
FGFR2 P21802 3/20 0.84
EGFR P00533 9/20 0.73
JAK3 P52333 5/20 0.53
BTK Q06187 1/20 0.52
JAK2 O60674 1/20 0.49
BRD4 O60885 1/20 0.49

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
SCHEMBL16514365 1.00 FGFR1 (0.84) FGFR1KDRFGFR2EGFRJAK3
Fumaric Acid SCHEMBL16514197 0.96 FGFR1 (0.79) FGFR1KDRFGFR2EGFRJAK3
Maleic Acid SCHEMBL26980891 0.96 FGFR1 (0.79) FGFR1KDRFGFR2EGFRJAK3
Maleic Acid SCHEMBL16514196 0.96 FGFR1 (0.79) FGFR1KDRFGFR2EGFRJAK3
SCHEMBL16514255 0.93 FGFR1 (0.72) FGFR1KDRFGFR2EGFRJAK3
SCHEMBL16514084 0.93 FGFR1 (0.72) FGFR1KDRFGFR2EGFRJAK3
SCHEMBL29848110 0.93 FGFR1 (0.72) FGFR1KDRFGFR2EGFRJAK3
SCHEMBL16513520 0.91 FGFR1 (0.89) FGFR1KDRFGFR2EGFRJAK3
Rx-518 SCHEMBL16514522 0.91 FGFR2 (1.00) FGFR1KDRFGFR2EGFRJAK3
Rx-518 SCHEMBL29369343 0.91 FGFR2 (1.00) FGFR1KDRFGFR2EGFRJAK3

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
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 CN disclosed