SCHEMBL27981746

SCHEMBL27981746

CCC(O)Cc1cc(Nc2cc(F)c(F)cc2F)nn1-c1ccnc(C)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 17/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ ELOVL1 Q9BW60 1/20 0.32
▸ CDK4 P11802 1/20 0.30
▸ CDK2 P24941 1/20 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
SCHEMBL10010098 1.00 MAPK1 (0.34) MAPK1P2RX7ELOVL1CDK4CDK2
SCHEMBL27981741 0.88 MAPK1 (0.33) MAPK1P2RX7ELOVL1CDK4CDK2
SCHEMBL10009653 0.88 MAPK1 (0.33) MAPK1P2RX7ELOVL1CDK4CDK2
SCHEMBL10009095 0.88 MAPK1 (0.33) MAPK1P2RX7ELOVL1CDK4CDK2
SCHEMBL10009314 0.87 MAPK1 (0.35) MAPK1P2RX7
SCHEMBL10008635 0.87 MAPK1 (0.35) MAPK1P2RX7
SCHEMBL27982244 0.87 MAPK1 (0.35) MAPK1P2RX7
SCHEMBL10009796 0.85 MAPK1 (0.34) MAPK1P2RX7ELOVL1
SCHEMBL10009558 0.85 MAPK1 (0.34) MAPK1P2RX7ELOVL1
SCHEMBL27982242 0.85 MAPK1 (0.34) MAPK1P2RX7ELOVL1

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
CN-102574832-B Substituted N-phenyl-1-(4-pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV 2014-09-24 — — CN disclosed
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