SCHEMBL21596403

SCHEMBL21596403

CSc1ncc(C#N)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 2/20 0.40
▸ IGF1R P08069 2/20 0.40
▸ ALK Q9UM73 2/20 0.40
▸ CDK7 P50613 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAP4K1 Q92918 8/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTK2 Q05397 5/20 0.38
▸ LMNA P02545 1/20 0.37
▸ EGFR P00533 1/20 0.37

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
SCHEMBL30379728 1.00 INSR (0.40) INSRIGF1RALKCDK7CDK9
SCHEMBL30379918 0.81 CDK7 (0.39) INSRIGF1RALKCDK7CDK9
SCHEMBL28546927 0.81 CDK7 (0.39) INSRIGF1RALKCDK7CDK9
SCHEMBL23487589 0.80 PTK2 (0.50) INSRIGF1RMAPTALDH1A1SMN1; SMN2
SCHEMBL21600832 0.80 CDK7 (0.38) INSRIGF1RALKCDK7CDK9
SCHEMBL21600835 0.79 KDM4E (0.40) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL23461740 0.78 SLC2A1 (0.57) INSRIGF1RALKCDK7CDK9
SCHEMBL5257876 0.77 KDM4E (0.54) KDM4EALDH1A1LMNA
SCHEMBL23487264 0.77 PKMYT1 (0.46) KDM4EMAPTALDH1A1SMN1; SMN2PTK2
SCHEMBL28537329 0.76 PTK2 (0.37) CDK7CDK9PTK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313207-B Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2023-02-14 — — CN disclosed
CN-112313207-A Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2021-02-02 — — CN disclosed
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
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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