SCHEMBL19836734

SCHEMBL19836734

CCc1nc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2n1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.32
FFAR1 O14842 1/20 0.32
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CDK4 P11802 3/20 0.30
CCND1 P24385 3/20 0.30
CCND3 P30281 3/20 0.30
CDK6 Q00534 3/20 0.30

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
SCHEMBL26454127 0.91 ROCK1 (0.32) ROCK1FFAR1LPLLIPGIRAK4
SCHEMBL29403292 0.84 CDK4 (0.36) LPLLIPGIRAK4CDK4CCND1
SCHEMBL2511865 0.84 CDK4 (0.36) LPLLIPGIRAK4CDK4CCND1
SCHEMBL30926519 0.81 LPL (0.31) LPLLIPGIRAK4
SCHEMBL21522778 0.81 CDK4 (0.40) ROCK1LPLLIPGIRAK4CDK4
SCHEMBL20987201 0.81 LPL (0.31) LPLLIPGIRAK4
SCHEMBL21522780 0.81 CDK4 (0.40) ROCK1LPLLIPGIRAK4CDK4
SCHEMBL22172152 0.81 KMT2A (0.33) LPLLIPGIRAK4CDK4CCND1
SCHEMBL21522812 0.81 CDK4 (0.40) ROCK1LPLLIPGIRAK4CDK4
SCHEMBL29268571 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020151742-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-07-30 WO disclosed
WO-2018019204-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY 深圳市塔吉瑞生物医药有限公司 2018-02-01 WO disclosed