SCHEMBL16092263

SCHEMBL16092263

Cc1cccc(-n2cc(-c3[nH]c4c(C#N)cnn4c(=O)c3C(C)C)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 9/20 0.47
▸ KDM5B Q9UGL1 4/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ S1PR1 P21453 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ KDM4D Q6B0I6 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ KDM5C P41229 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL17547856 0.90 KDM5A (0.46) KDM5AKDM5BS1PR1GRM5KDM4D
SCHEMBL16092232 0.90 KDM5A (0.57) KDM5AKDM5BADORA1KDM5CKDM4C
SCHEMBL16092262 0.89 KDM5A (0.47) KDM5AKDM5BKDM5CKDM4C
SCHEMBL16092096 0.86 KDM5A (0.47) KDM5AKDM5BADORA1KDM5CKDM4C
SCHEMBL16092231 0.85 KDM5A (0.47) KDM5AKDM5BKDM5CKDM4C
SCHEMBL17547857 0.84 KDM5B (0.48) KDM5AKDM5BKMT2AKDM5CKDM4C
SCHEMBL16092474 0.81 GRM5 (0.44) KDM5AKDM5BGRM5ADORA1KDM5C
SCHEMBL16092556 0.81 KDM5B (0.49) KDM5AKDM5BGRM5KDM4DKDM5C
SCHEMBL16092560 0.80 KDM5A (0.39) KDM5AKDM5BKDM4DKDM5CKDM4C
SCHEMBL16092317 0.80 KDM5A (0.48) KDM5AKDM5BKDM4DKDM5CKDM4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 — — WO disclosed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 — — WO disclosed
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