SCHEMBL7676795

SCHEMBL7676795

O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3ccc(F)cc3C(F)(F)F)n2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.39
CDK4 P11802 2/20 0.38
ABCC9 O60706 2/20 0.35
ABCC8 Q09428 2/20 0.35
KCNJ11 Q14654 2/20 0.35
KCNJ8 Q15842 2/20 0.35
RORC P51449 2/20 0.35
NTRK1 P04629 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHFR P00374 1/20 0.33
GRM5 P41594 2/20 0.33
PPARG P37231 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
SCHEMBL7676349 0.91 CDK2 (0.42) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7682053 0.89 CDK2 (0.40) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7676377 0.89 CDK2 (0.42) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7677654 0.86 NTRK1 (0.33) CDK2CDK4NTRK1CYP2C9DHFR
SCHEMBL7680020 0.85 CDK2 (0.41) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7676916 0.85 CDK2 (0.44) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7676510 0.84 CDK2 (0.47) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7682045 0.84 CDK2 (0.43) CDK2CDK4ALDH1A1PPARGCSNK1D
SCHEMBL7676606 0.84 CDK2 (0.43) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7676621 0.84 CDK2 (0.43) CDK2CDK4ABCC9ABCC8KCNJ11

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