SCHEMBL21600929

SCHEMBL21600929

C=CC(O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1ncc(C#N)c(-c2cccnc2OCC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 4/20 0.40
▸ IGF1R P08069 3/20 0.40
▸ JAK3 P52333 3/20 0.40
▸ CDK7 P50613 3/20 0.40
▸ PTK2 Q05397 3/20 0.40
▸ ALK Q9UM73 3/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ BTK Q06187 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ RET P07949 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ FGFR1 P11362 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
SCHEMBL28546954 0.88 EGFR (0.48) JAK3BTKFGFR1EGFR
SCHEMBL28546957 0.83 SLC2A1 (0.43) FLT3IGF1RJAK3CDK7PTK2
SCHEMBL30379595 0.83 SLC2A1 (0.43) FLT3IGF1RJAK3CDK7PTK2
SCHEMBL21596397 0.73 EGFR (0.49) IGF1RJAK3BTKFGFR1KDR
SCHEMBL21601040 0.72 EGFR (0.47) JAK3BTKFGFR1KDREGFR
SCHEMBL28537293 0.72 FGFR1 (0.47) FLT3IGF1RJAK3CDK7PTK2
SCHEMBL21600869 0.71 CDK7 (0.59) FLT3IGF1RJAK3CDK7PTK2
SCHEMBL30380016 0.71 CDK7 (0.59) FLT3IGF1RJAK3CDK7PTK2
SCHEMBL21600754 0.70 JAK3 (0.52) FLT3IGF1RJAK3CDK7PTK2
SCHEMBL21596338 0.69 FGFR4 (0.51) FLT3JAK3PTK2ALKBTK

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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