SCHEMBL7674349

SCHEMBL7674349

O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3ccc(C(F)(F)F)cc3)n2c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
MCHR1 Q99705 10/20 0.40
CDK2 P24941 2/20 0.40
USP7 Q93009 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
CDK4 P11802 1/20 0.39
SRD5A2 P31213 1/20 0.39
NTRK1 P04629 1/20 0.38

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
SCHEMBL7679500 0.93 CDK2 (0.43) CDK2USP7CDK4
SCHEMBL7682045 0.91 CDK2 (0.43) CDK2USP7CDK4
SCHEMBL7680034 0.90 CDK2 (0.40) CDK2USP7CDK4
SCHEMBL7677596 0.90 CDK2 (0.41) CDK2USP7ADORA3CDK4
SCHEMBL7678672 0.89 CNR2 (0.45) CDK2ADORA3CDK4SRD5A2
SCHEMBL7675092 0.88 AKT1 (0.47) CDK2USP7CDK4
SCHEMBL7673955 0.87 NPC1 (0.42) CDK2USP7ADORA3
SCHEMBL7680199 0.87 TLR7 (0.39) MCHR1CDK2USP7CDK4
SCHEMBL7680009 0.87 CDK2 (0.39) CDK2USP7CDK4
SCHEMBL7676765 0.86 POLB (0.46) CDK2CDK4SRD5A2

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-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed