SCHEMBL10247712

SCHEMBL10247712

CC(C)(C)c1cnc(NCCN)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
PRKCI P41743 1/20 0.31
IKBKB O14920 2/20 0.30
CHUK O15111 2/20 0.30
ERN1 O75460 1/20 0.30
RPS6KA4 O75676 1/20 0.30
PRKD3 O94806 1/20 0.30
CDK1 P06493 1/20 0.30
KIT P10721 1/20 0.30
CDK11B P21127 1/20 0.30
TYK2 P29597 1/20 0.30
CSNK1D P48730 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
LIMK1 P53667 1/20 0.30
CDK16 Q00536 1/20 0.30
MAPK7 Q13164 1/20 0.30
CDK13 Q14004 1/20 0.30

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
SCHEMBL17829552 0.72 CDK2 (0.33) CDK2CCNE2CCNE1CDK1
SCHEMBL14012581 0.71 CDK2 (0.32) CDK2CCNE2CCNE1CDK1
Hydrochloric Acid SCHEMBL3710324 0.67 CDK2 (0.45) CDK2CCNE2CCNE1CDK1CDK7
SCHEMBL13268635 0.66 MEN1 (0.41) CDK2CCNE2CCNE1CDK1
SCHEMBL1979674 0.63 CDK2 (0.45) CDK2CCNE2CCNE1CDK1CDK7
SCHEMBL17801609 0.63 CDK2 (0.34) CDK2
SCHEMBL17342209 0.63 RAB9A (0.43) PRKCIPRKD3PRKD1
SCHEMBL12851783 0.62 CDK2 (0.36) CDK2CCNE2CCNE1CDK1
SCHEMBL12851685 0.62 MAPK1 (0.34) CDK2CCNE2CCNE1CDK1
SCHEMBL13188146 0.62 CDK2 (0.41) CDK2CCNE2CCNE1CDK1CDK7

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-8101611-B2 Substituted pyridazines inhibitors of MEK ARRAY BIOPHARMA INC. (US) 2012-01-24 US disclosed