SCHEMBL22256859

SCHEMBL22256859

INc1nccc(C2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.37
▸ MAPK8 P45983 2/20 0.34
▸ MAPK10 P53779 2/20 0.34
▸ HTR1A P08908 3/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CHRNA7 P36544 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ IKBKB O14920 2/20 0.32
▸ MAP2K7 O14733 1/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAP2K4 P45985 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ MAP2K6 P52564 1/20 0.32

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
SCHEMBL24042813 0.81 SYK (0.40) SYKPIK3CDPIK3CAMAPK13MAPK9
SCHEMBL24287892 0.77 MAPK9 (0.50) SYKMAPK8MAPK10HTR1AMAPK9
SCHEMBL14871556 0.75 CDK2 (0.57) SYKKCNH2SCN5ASCN9ACHRNA7
SCHEMBL29641671 0.74 PIK3CD (0.49) PIK3CDPIK3CA
SCHEMBL17700440 0.73 CHRNA7 (0.53) PIK3CDCHRNA7
SCHEMBL1554844 0.73 RAB9A (0.52) SYKKCNH2SCN5ASCN9AIKBKB
SCHEMBL16820278 0.70 SYK (0.55) SYKCDK2GSK3BMAPK14KDR
SCHEMBL12615927 0.69 PIK3CD (0.36) MAPK8MAPK10PIK3CDPIK3CA
SCHEMBL12696158 0.69 PIK3CD (0.36) MAPK8MAPK10PIK3CDPIK3CA
SCHEMBL10284715 0.69 MAP4K4 (0.43) SYKPIK3CDPIK3CA

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-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 — — WO disclosed
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