SCHEMBL1801258

SCHEMBL1801258

CN1CCN(C(=O)c2nc(-c3c[nH]c4ncc(C5=C=CC=C5)cc34)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 5/20 0.46
▸ TNIK Q9UKE5 9/20 0.41
▸ IGF1R P08069 2/20 0.40
▸ ROCK1 Q13464 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ NTRK1 P04629 1/20 0.36

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
SCHEMBL1799494 0.91 TNIK (0.39) MAP3K11TNIKNTRK1
SCHEMBL1798276 0.90 NTRK1 (0.47) MAP3K11ROCK1WDR5NTRK1
SCHEMBL1800577 0.84 MAP3K11 (0.55) MAP3K11TNIKIGF1R
SCHEMBL1801625 0.84 AXL (0.40) TNIKROCK1NTRK1
SCHEMBL4403894 0.82 MAP4K1 (0.55) MAP3K11TNIK
SCHEMBL1801553 0.82 MAP3K11 (0.45) MAP3K11TNIKIGF1RROCK1CYP3A4
SCHEMBL1801257 0.81 MAP3K11 (0.46) MAP3K11TNIKIGF1RROCK1CYP3A4
SCHEMBL1799327 0.80 MAP3K11 (0.44) MAP3K11TNIKIGF1RROCK1CYP3A4
SCHEMBL1798971 0.80 MAP4K1 (0.43) MAP3K11TNIKIGF1RROCK1CYP3A4
SCHEMBL1801623 0.79 MAP3K11 (0.44) MAP3K11TNIKIGF1RROCK1CYP3A4

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
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 — — US disclosed
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