SCHEMBL21541555

SCHEMBL21541555

[CH2]n1cc(-c2ccn(Cc3cccc(Cl)c3)c(=O)c2)c2cc(N3CCOCC3)cnc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 19/20 0.58
▸ PIK3CD O00329 1/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ MAPK3 P27361 1/20 0.46

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
SCHEMBL21541548 0.92 MAPK1 (0.59) MAPK1
SCHEMBL21541562 0.90 MAPK1 (0.54) MAPK1
SCHEMBL21541551 0.89 MAPK1 (0.53) MAPK1
SCHEMBL25833943 0.89 MAPK1 (0.56) MAPK1PIK3CDPIK3CBCCNA2CDK2
SCHEMBL20504007 0.87 MAPK1 (0.54) MAPK1PIK3CDPIK3CBCCNA2CDK2
SCHEMBL20504008 0.85 MAPK1 (0.54) MAPK1CCNA2CDK2MAPK3
SCHEMBL21541556 0.85 MAPK1 (0.61) MAPK1
SCHEMBL18860632 0.83 MAPK1 (0.83) MAPK1
SCHEMBL30497100 0.82 MAPK1 (0.52) MAPK1PIK3CDPIK3CBCCNA2CDK2
SCHEMBL21541547 0.82 MAPK1 (0.49) MAPK1

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-3377491-B1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2019-11-13 — — EP claimed
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