SCHEMBL7681340

SCHEMBL7681340

CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3cc(F)ccc3F)n2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.33
MAPK14 Q16539 2/20 0.33
KDR P35968 1/20 0.32
CDK2 P24941 3/20 0.31
CDK4 P11802 2/20 0.31
ABL1 P00519 1/20 0.31
CSNK1D P48730 4/20 0.31
CSNK1E P49674 4/20 0.31
CCNE1 P24864 1/20 0.31
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 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
SCHEMBL7677654 0.90 NTRK1 (0.33) MAPK14CDK2CDK4CSNK1DCSNK1E
SCHEMBL7677552 0.89 CDK2 (0.32) KDRCDK2CDK4CCNE1CYP2C9
SCHEMBL7673995 0.87 AKT1 (0.33) MAPK14CDK2CDK4CSNK1DCSNK1E
SCHEMBL7680630 0.87 AKT1 (0.33) MAPK14CDK2CDK4CSNK1DCSNK1E
SCHEMBL7676377 0.86 CDK2 (0.42) MAPK14CDK2CDK4KMT2AABCC9
SCHEMBL7674268 0.86 AKT1 (0.39) CDK2CDK4CCNE1CYP2C9MEN1
SCHEMBL7683354 0.84 CDK2 (0.42) KIF11MAPK14CDK2CDK4CCNE1
SCHEMBL7676610 0.82 CYP2C9 (0.35) CDK2CDK4CCNE1CYP2C9MEN1
SCHEMBL7676605 0.82 CYP2C9 (0.35) CDK2CDK4CCNE1CYP2C9MEN1
SCHEMBL7673714 0.82 LRRK2 (0.37) CYP2C9MEN1ALDH1A1RAB9AKMT2A

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