SCHEMBL7469488

SCHEMBL7469488

COc1ccccc1Nc1nccc(-c2ccncc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 5/20 0.70
PIK3CG P48736 5/20 0.70
MAPK8 P45983 4/20 0.70
EGFR P00533 1/20 0.64
CCNB2 O95067 1/20 0.58
CDK1 P06493 1/20 0.58
CCNB1 P14635 1/20 0.58
CCNB3 Q8WWL7 1/20 0.58
GSK3B P49841 1/20 0.57
DYRK1A Q13627 1/20 0.57
AURKA O14965 1/20 0.55
MAPK10 P53779 1/20 0.55
KDR P35968 1/20 0.53
ABL1 P00519 3/20 0.52
BCR P11274 2/20 0.52
PRKCA P17252 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 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
SCHEMBL27822602 0.86 CAMKK2 (0.63) CAMKK2PIK3CGMAPK8EGFRCCNB2
SCHEMBL7461093 0.86 PRKCA (0.69) CAMKK2PIK3CGMAPK8EGFRCCNB2
SCHEMBL7461970 0.83 PIK3CG (0.56) CAMKK2PIK3CGMAPK8KDRABL1
SCHEMBL7471924 0.83 ABL1 (0.54) CAMKK2PIK3CGMAPK8EGFRABL1
SCHEMBL27116596 0.82 PIK3CG (0.61) CAMKK2PIK3CGMAPK8EGFRCCNB2
SCHEMBL7475168 0.82 CCNB2 (0.55) CAMKK2PIK3CGMAPK8EGFRCCNB2
SCHEMBL12801671 0.81 CDK5 (0.66) CAMKK2PIK3CGMAPK8EGFRCCNB2
SCHEMBL14569550 0.79 EGFR (0.73) CAMKK2PIK3CGMAPK8EGFRCCNB2
SCHEMBL12275292 0.78 CAMKK2 (0.57) CAMKK2PIK3CGMAPK8EGFRCCNB2
SCHEMBL7462149 0.78 ABL1 (0.49) CAMKK2PIK3CGMAPK8EGFRABL1

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-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed