SCHEMBL18259014

SCHEMBL18259014

Cc1cccc2cc(CN(C)c3cnc(N(C)Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)nc3)c(NC(C3CC3)C3CC3)nc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.33
CDK2 P24941 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
PIK3CD O00329 3/20 0.33
CETP P11597 4/20 0.32
TACR1 P25103 7/20 0.32
RXFP1 Q9HBX9 1/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL5624618 0.89 CDK2 (0.34) MDM2CDK2CSNK1A1CSNK1DCDK7
SCHEMBL5049263 0.86 TACR1 (0.35) MDM2CDK2CSNK1A1CSNK1DCDK7
SCHEMBL5042833 0.85 CETP (0.39) MDM2CDK2CSNK1A1CSNK1DCDK7
SCHEMBL5042944 0.85 CETP (0.33) MDM2CDK2CSNK1A1CSNK1DCDK7
SCHEMBL5133083 0.84 MDM2 (0.33) MDM2CDK2CSNK1A1CSNK1DCDK7
SCHEMBL5050202 0.81 CETP (0.34) MDM2CDK2CSNK1A1CSNK1DCDK7
SCHEMBL5133091 0.81 MDM2 (0.33) MDM2CDK2CSNK1A1CSNK1DCDK7
SCHEMBL5042738 0.81 CETP (0.45) PIK3CDCETPTACR1BRAF
SCHEMBL5624189 0.80 CETP (0.45) MDM2CETP
SCHEMBL5046633 0.80 CETP (0.39) MDM2CDK2CSNK1A1CSNK1DCDK7

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
EP-1981342-B1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDYS LAB LTD DR (IN) 2016-11-30 EP disclosed