SCHEMBL29352899

SCHEMBL29352899

CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)CCC(F)(F)F)cn2)cc2cnc(N[C@H]3CC[C@H](N)[C@H](F)C3)nc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.48
MAPK8 P45983 9/20 0.39
MAPK10 P53779 8/20 0.39
MAPK9 P45984 7/20 0.36
CCND1 P24385 4/20 0.36
CCNE1 P24864 4/20 0.36
CDK2 P24941 4/20 0.36
CDK6 Q00534 4/20 0.36
CCNT1 O60563 2/20 0.36
CDK4 P11802 2/20 0.36
CDK9 P50750 2/20 0.36
BRAF P15056 1/20 0.36
MAPK14 Q16539 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
SCHEMBL22190658 1.00 ERN1 (0.48) ERN1MAPK8MAPK10MAPK9CCND1
SCHEMBL29356314 0.91 ERN1 (0.52) ERN1MAPK8MAPK10MAPK9CCND1
SCHEMBL22200448 0.91 ERN1 (0.52) ERN1MAPK8MAPK10MAPK9CCND1
SCHEMBL22190760 0.91 ERN1 (0.52) ERN1MAPK8MAPK10MAPK9CCND1
SCHEMBL22190758 0.90 ERN1 (0.46) ERN1MAPK8MAPK10MAPK9CCND1
SCHEMBL30242232 0.87 ERN1 (0.63) ERN1MAPK8MAPK10MAPK9CCND1
SCHEMBL22200326 0.87 ERN1 (0.63) ERN1MAPK8MAPK10MAPK9CCND1
SCHEMBL29356354 0.87 ERN1 (0.44) ERN1MAPK8MAPK10MAPK9CCND1
SCHEMBL22200810 0.87 ERN1 (0.44) ERN1MAPK8MAPK10MAPK9CCND1
SCHEMBL22200329 0.86 ERN1 (0.54) ERN1MAPK8MAPK10MAPK9CCND1

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-3941919-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES Genentech, Inc. (US) 2022-01-26 EP disclosed