SCHEMBL7677596

SCHEMBL7677596

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CDK4 P11802 1/20 0.39
USP7 Q93009 1/20 0.38
CNR1 P21554 1/20 0.38
GABRD O14764 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA4 P48169 1/20 0.38
AKT1 P31749 7/20 0.37
AKT2 P31751 7/20 0.37
TMIGD3 P0DMS9 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
MARK4 Q96L34 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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) CDK2CDK4USP7AKT1AKT2
SCHEMBL7682045 0.91 CDK2 (0.43) CDK2MAPTCDK4USP7AKT1
SCHEMBL7674349 0.90 TRPV1 (0.40) CDK2CDK4USP7ADORA3
SCHEMBL7680034 0.90 CDK2 (0.40) CDK2MAPTCDK4USP7AKT1
SCHEMBL7680224 0.89 ATM (0.42) CDK2MAPTNPC1RAB9ACDK4
SCHEMBL7673988 0.89 CHUK (0.43) CDK2CDK4USP7
SCHEMBL7679621 0.88 CDK2 (0.43) CDK2MAPTKMT2ACDK4USP7
SCHEMBL7675092 0.88 AKT1 (0.47) CDK2MAPTNPC1RAB9ACDK4
SCHEMBL7673955 0.87 NPC1 (0.42) CDK2MAPTNPC1RAB9AKMT2A
SCHEMBL7680199 0.87 TLR7 (0.39) CDK2MAPTCDK4USP7AKT1

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