SCHEMBL24042813

SCHEMBL24042813

CNc1nccc(C2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.40
▸ PIK3C3 Q8NEB9 7/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ BRAF P15056 1/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ INCENP Q9NQS7 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
SCHEMBL2852000 0.81 KDM4E (0.44) SYKPIK3CDPIK3CA
SCHEMBL22256859 0.81 SYK (0.37) SYKPIK3CDPIK3CAMAPK14MAPK13
SCHEMBL15360081 0.81 HTR1A (0.43) PIK3C3PIK3CDPIK3CAPIK3CGMAPK14
SCHEMBL24287892 0.80 MAPK9 (0.50) SYKMAPK9
SCHEMBL1554844 0.76 RAB9A (0.52) SYK
SCHEMBL17700440 0.76 CHRNA7 (0.53) PIK3C3PIK3CD
SCHEMBL14871556 0.75 CDK2 (0.57) SYKPIK3C3AURKAAURKB
SCHEMBL12500190 0.75 CREBBP (0.41) PIK3C3MAPK14FLT3
SCHEMBL8222078 0.75 CREBBP (0.41) PIK3C3MAPK14FLT3
SCHEMBL16273403 0.74 HRH4 (0.46) MAPK14MAPK13MAPK9MAPK12

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
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 — — EP disclosed
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