SCHEMBL7678672

SCHEMBL7678672

O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3cccc(C(F)(F)F)c3)n2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
LRRK2 Q5S007 1/20 0.43
SRD5A2 P31213 1/20 0.42
CDK2 P24941 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CDK4 P11802 1/20 0.39
MAPT P10636 1/20 0.39
PIN1 Q13526 1/20 0.39
LMNA P02545 1/20 0.38
ADCY1 Q08828 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37

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 0.90 CDK2 (0.43) CDK2CDK4
SCHEMBL7676606 0.89 CDK2 (0.43) CDK2KMT2ACDK4MAPTPIN1
SCHEMBL7674349 0.89 TRPV1 (0.40) SRD5A2CDK2ADORA3CDK4
SCHEMBL7680224 0.89 ATM (0.42) CDK2NPC1RAB9AADORA3CDK4
SCHEMBL7680009 0.86 CDK2 (0.39) CDK2NPC1RAB9ACDK4
SCHEMBL7676480 0.86 NAMPT (0.39) CDK2CDK4
SCHEMBL7673714 0.86 LRRK2 (0.37) CNR2LRRK2KMT2AMEN1NPC1
SCHEMBL7679621 0.85 CDK2 (0.43) CDK2KMT2ACDK4MAPTCYP2C9
SCHEMBL7676353 0.85 CDK2 (0.42) CNR2CDK2KMT2ACDK4
SCHEMBL7680020 0.85 CDK2 (0.41) LRRK2SRD5A2CDK2NPC1RAB9A

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