SCHEMBL8172010

SCHEMBL8172010

CN1CCN(C(=O)c2nc(-c3c[nH]c4ncc(C5CCCC5)cc34)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 3/20 0.42
▸ ROCK1 Q13464 4/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ MAP3K7 O43318 1/20 0.40
▸ WDR5 P61964 2/20 0.39
▸ MAPK8 P45983 2/20 0.39
▸ MAPK9 P45984 2/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ TNIK Q9UKE5 2/20 0.38
▸ IL2 P60568 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTR2C P28335 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
SCHEMBL1800574 0.99 MAP3K11 (0.42) MAP3K11ROCK1CYP3A4MAP3K7WDR5
SCHEMBL1799521 0.93 MAP3K11 (0.41) MAP3K11ROCK1CYP3A4WDR5MAPK8
SCHEMBL1799160 0.92 HTR2C (0.38) MAP3K11MAPK8MAPK9MAPK10TNIK
SCHEMBL1801875 0.89 HTR2C (0.48) ROCK1WDR5MAPK8MAPK9MAPK10
SCHEMBL1799651 0.88 MAPK8 (0.57) MAP3K11ROCK1CYP3A4WDR5MAPK8
SCHEMBL1799652 0.88 MAPK8 (0.57) MAP3K11ROCK1CYP3A4WDR5MAPK8
SCHEMBL8176817 0.88 MAPK8 (0.57) MAP3K11ROCK1CYP3A4WDR5MAPK8
SCHEMBL1802085 0.87 JAK3 (0.39) MAP3K11MAPK8MAPK9MAPK10TNIK
SCHEMBL1801553 0.84 MAP3K11 (0.45) MAP3K11ROCK1CYP3A4MAP3K7WDR5
SCHEMBL1801418 0.83 MAPK8 (0.47) ROCK1WDR5MAPK8MAPK9MAPK10

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-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 — — WO disclosed
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