SCHEMBL19101599

SCHEMBL19101599

CNC(=O)c1cc(COc2ccc(Nc3ccc(N4C=C(C)N[C@@H](C)C4)cc3)nc2)c(F)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.47
▸ JAK1 P23458 3/20 0.36
▸ TYK2 P29597 3/20 0.36
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ GRM5 P41594 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PTK2 Q05397 2/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ PIP5K1C O60331 1/20 0.32
▸ FGFR3 P22607 3/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19101557 0.92 FGFR1 (0.40) FGFR1PTK2FGFR3KCNH2
SCHEMBL17470138 0.86 FGFR1 (0.63) FGFR1JAK1TYK2CHRNB4CHRNA3
SCHEMBL19101598 0.83 FGFR3 (0.46) FGFR1PTK2FGFR3KCNH2
SCHEMBL19101488 0.83 FGFR3 (0.45) FGFR1PTK2FGFR3KCNH2
SCHEMBL19101495 0.83 FGFR3 (0.47) FGFR1PTK2FGFR3KCNH2
SCHEMBL19101594 0.83 KCNH2 (0.46) FGFR1SCN9APTK2FGFR3KCNH2
SCHEMBL19101546 0.81 FGFR3 (0.41) FGFR1JAK1TYK2PTK2FGFR3
SCHEMBL19101618 0.79 FGFR3 (0.45) FGFR1FGFR3KCNH2
SCHEMBL19101589 0.79 FGFR3 (0.40) FGFR1PTK2FGFR3KCNH2
SCHEMBL17470095 0.78 FGFR1 (0.54) FGFR1FGFR3CDK4CCND1KCNH2

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
US-9701680-B2 Pyrimidine and pyridine compounds and their usage HUTCHISON MEDIPHARMA LIMITED (CN) 2017-07-11 — — US disclosed
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