SCHEMBL19286222

SCHEMBL19286222

CCc1cnc2[nH]cc(CO)c2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.42
MAP4K1 Q92918 4/20 0.42
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
ABL1 P00519 1/20 0.41
ALOX5AP P20292 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
FEN1 P39748 1/20 0.38
GSK3B P49841 1/20 0.38
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
GPR84 Q9NQS5 1/20 0.37
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
HASPIN Q8TF76 1/20 0.36
SGK1 O00141 1/20 0.36
CAMKK2 Q96RR4 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
SCHEMBL12762846 0.88 CYP3A4 (0.48) CYP3A4MAP4K1PRMT5WDR77ABL1
SCHEMBL21919959 0.88 MTNR1A (0.43) CYP3A4MAP4K1PRMT5WDR77ABL1
SCHEMBL24565963 0.81 PRMT5 (0.46) CYP3A4MAP4K1PRMT5WDR77ABL1
SCHEMBL15934118 0.80 CYP3A4 (0.46) CYP3A4PRMT5WDR77ALOX5APMTNR1A
SCHEMBL14032289 0.78 MET (0.42) PRMT5WDR77ABL1
SCHEMBL24005713 0.77 PRMT5 (0.40) CYP3A4MAP4K1PRMT5WDR77CYP2C9
SCHEMBL19787915 0.77 BRD4 (0.47) CYP3A4PRMT5WDR77CYP2C9CYP2C19
SCHEMBL24012829 0.76 PRMT5 (0.41) CYP3A4MAP4K1PRMT5WDR77ABL1
SCHEMBL15932318 0.76 ALOX5AP (0.44) CYP3A4MAP4K1PRMT5WDR77ABL1
SCHEMBL18634090 0.76 PDPK1 (0.35) CYP3A4MAP4K1ABL1MTNR1AMTNR1B

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-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed