SCHEMBL6828271

SCHEMBL6828271

CNc1ncc([C@H]2CC[C@@H](N)CC2)c(NC)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
MERTK Q12866 16/20 0.40
LRRK2 Q5S007 1/20 0.39
AXL P30530 4/20 0.38
TYRO3 Q06418 4/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
CHEK1 O14757 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
SCHEMBL6465310 0.84 CDK7 (0.37) CDK7CDK9MERTKLRRK2
SCHEMBL29593105 0.79 IGF1R (0.57)
SCHEMBL19690214 0.76 JAK1 (0.33) CDK7CDK9MERTKLRRK2
SCHEMBL9957217 0.70 PIK3C3 (0.51) CDK7CDK9MERTKAXLTYRO3
SCHEMBL1091018 0.67 TBK1 (0.42) CHEK1
SCHEMBL2789966 0.67 MERTK (0.33) MERTKLRRK2AXLTYRO3PIK3C3
SCHEMBL12876567 0.66 LRRK2 (0.39) MERTKLRRK2AXLTYRO3
SCHEMBL22631476 0.66 MAP4K4 (0.40) MERTK
Hydrochloric Acid SCHEMBL1521798 0.65 LRRK2 (0.38) MERTKLRRK2AXLTYRO3
SCHEMBL12568005 0.64 AURKA (0.44) LRRK2

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-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed