SCHEMBL4771586

SCHEMBL4771586

Cc1c(-c2ccncc2)[nH]c2c1C(=O)NCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 1.00
BUB1 O43683 7/20 0.60
PKN1 Q16512 4/20 0.50
PKN2 Q16513 4/20 0.50
MAPKAPK2 P49137 3/20 0.50
CDK9 P50750 2/20 0.50
CSNK1A1 P48729 2/20 0.50
CSNK1D P48730 2/20 0.50
CLK2 P49760 2/20 0.50
CSNK1G1 Q9HCP0 2/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP11 Q9NR21 1/20 0.50
PLK4 O00444 1/20 0.50
MAPK13 O15264 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50
ROCK2 O75116 1/20 0.50
RPS6KA5 O75582 1/20 0.50
RPS6KA4 O75676 1/20 0.50
PRKD3 O94806 1/20 0.50

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
Hydrochloric Acid SCHEMBL4772983 0.99 CDC7 (0.97) CDC7BUB1PKN1PKN2MAPKAPK2
SCHEMBL6110534 0.87 CDC7 (0.76) CDC7BUB1MAPKAPK2PARP10PARP11
SCHEMBL6110112 0.84 CDC7 (0.72) CDC7BUB1MAPKAPK2PIM1PIM2
SCHEMBL6099517 0.84 CDC7 (0.72) CDC7BUB1MAPKAPK2PARP10PARP11
SCHEMBL6109539 0.83 CDC7 (0.71) CDC7BUB1MAPKAPK2PARP10PARP11
SCHEMBL17847562 0.82 CDC7 (0.70) CDC7BUB1PKN1PKN2MAPKAPK2
SCHEMBL6109948 0.82 CDC7 (0.69) CDC7BUB1PKN1PKN2MAPKAPK2
SCHEMBL6110458 0.81 CDC7 (0.67) CDC7BUB1PKN1PKN2MAPKAPK2
SCHEMBL30444069 0.80 BUB1 (0.67) CDC7BUB1PKN1PKN2MAPKAPK2
SCHEMBL7690471 0.79 CDC7 (0.66) CDC7BUB1PKN1PKN2CSNK1A1

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
EP-1660085-B1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-10-15 EP claimed