SCHEMBL30359447

SCHEMBL30359447

CNC1CCN(c2ccc(-c3ccc4ncc5nnc(N6C[C@@H](C)O[C@@H](C)C6)n5c4n3)cc2C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ NOTUM Q6P988 2/20 0.33
▸ CCNA2 P20248 4/20 0.32
▸ CDK2 P24941 4/20 0.32
▸ CCNA1 P78396 4/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ GAK O14976 2/20 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
SCHEMBL21541886 1.00 MET (0.35) METSCN9APIM1ITGB2ICAM1
SCHEMBL30359441 0.92 MET (0.36) METSCN9AITGB2ICAM1ITGAL
SCHEMBL21541827 0.92 MET (0.36) METSCN9AITGB2ICAM1ITGAL
SCHEMBL21541763 0.91 CCNA2 (0.34) PIM1S1PR1CCNA2CDK2CCNA1
SCHEMBL29559089 0.91 CCNA2 (0.34) PIM1S1PR1CCNA2CDK2CCNA1
SCHEMBL21541857 0.90 CDK4 (0.35) METSCN9AITGB2ICAM1ITGAL
SCHEMBL30359413 0.88 PRKDC (0.40) PDE3BPDE3ANOTUM
SCHEMBL21541778 0.88 PRKDC (0.40) PDE3BPDE3ANOTUM
SCHEMBL21541836 0.83 S1PR1 (0.33) PIM1S1PR1CCNA2CDK2CCNA1
SCHEMBL29559929 0.83 S1PR1 (0.33) PIM1S1PR1CCNA2CDK2CCNA1

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
CN-110167941-B Substituted fused heteroaryl compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2023-04-04 — — CN claimed
CN-110167941-B Substituted fused heteroaryl compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2023-04-04 — — CN disclosed
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