SCHEMBL7682053

SCHEMBL7682053

O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3ccccc3C(F)(F)F)n2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.40
CDK4 P11802 3/20 0.39
ABL1 P00519 1/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2D6 P10635 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
CCNE1 P24864 1/20 0.36
CYP2C19 P33261 3/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ATR Q13535 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NTRK1 P04629 3/20 0.35

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
SCHEMBL7676795 0.89 CDK2 (0.39) CDK2CDK4CYP1A2CYP2C19MEN1
SCHEMBL7676510 0.89 CDK2 (0.47) CDK2CDK4CCNE1HPGDABCC9
SCHEMBL7682155 0.88 CDK2 (0.40) CDK2CDK4MEN1KMT2AHPGD
SCHEMBL7681390 0.86 CDK2 (0.46) CDK2CDK4CCNE1ABCC9ABCC8
SCHEMBL7679500 0.86 CDK2 (0.43) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7673991 0.85 CDK2 (0.40) CDK2CDK4CYP1A2CYP2D6CYP3A4
SCHEMBL7676916 0.85 CDK2 (0.44) CDK2CDK4CCNE1ABCC9ABCC8
SCHEMBL7676621 0.84 CDK2 (0.43) CDK2CDK4CCNE1ABCC9ABCC8
SCHEMBL7674349 0.84 TRPV1 (0.40) CDK2CDK4NTRK1
SCHEMBL7680020 0.84 CDK2 (0.41) CDK2CDK4CYP1A2CYP2C19NTRK1

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