SCHEMBL21600898

SCHEMBL21600898

C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1cc(NCc2cccnc2)c(C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 7/20 0.47
▸ FGFR1 P11362 6/20 0.47
▸ JAK3 P52333 3/20 0.47
▸ FGFR2 P21802 2/20 0.46
▸ FGFR3 P22607 2/20 0.46
▸ MAPT P10636 5/20 0.42
▸ HTR6 P50406 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL21600954 0.93 JAK3 (0.54) FGFR1JAK3FGFR2MAPTHTR6
SCHEMBL21600899 0.92 FGFR1 (0.49) FGFR4FGFR1JAK3FGFR2FGFR3
SCHEMBL21601025 0.92 FGFR4 (0.51) FGFR4FGFR1JAK3FGFR2FGFR3
SCHEMBL21600961 0.90 FGFR1 (0.49) FGFR4FGFR1JAK3FGFR2FGFR3
SCHEMBL21596368 0.89 FGFR1 (0.48) FGFR4FGFR1JAK3FGFR2FGFR3
SCHEMBL21600895 0.88 JAK3 (0.48) FGFR4FGFR1JAK3FGFR2FGFR3
SCHEMBL21600913 0.88 FGFR1 (0.48) FGFR4FGFR1JAK3FGFR2FGFR3
SCHEMBL21600972 0.88 FGFR1 (0.48) FGFR4FGFR1JAK3FGFR2FGFR3
SCHEMBL21600893 0.88 FGFR1 (0.49) FGFR4FGFR1JAK3FGFR2FGFR3
SCHEMBL21600953 0.88 JAK3 (0.47) FGFR4FGFR1JAK3FGFR2FGFR3

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-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 — — WO disclosed
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