SCHEMBL4344141

SCHEMBL4344141

CSC(C)Oc1ccc(F)cc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.41
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 0.34
LRRK2 Q5S007 1/20 0.34
MAP2 P11137 1/20 0.33
ABL1 P00519 1/20 0.33
JAK2 O60674 3/20 0.32
MEN1 O00255 1/20 0.32
IKBKB O14920 1/20 0.32
EIF2AK2 P19525 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CDC7 O00311 1/20 0.31

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
SCHEMBL2197511 0.83 BRD4 (0.46) BRD4CCNT1CDK9CDC7
SCHEMBL4344585 0.81 BRD4 (0.45) BRD4CCNT1CDK9JAK2MEN1
SCHEMBL4344042 0.81 BRD4 (0.38) BRD4CCNT1CDK9MEN1KMT2A
SCHEMBL2196441 0.81 BRD4 (0.44) BRD4CCNT1CDK9MEN1KMT2A
SCHEMBL2202784 0.80 BRD4 (0.41) BRD4CCNT1CDK9IKBKBKMT2A
SCHEMBL4339928 0.79 CCNT1 (0.37) BRD4CCNT1CDK9ABL1
SCHEMBL2198985 0.79 MAPT (0.47) BRD4CCNT1CDK9JAK2MEN1
SCHEMBL2197617 0.78 BRD4 (0.41) BRD4CCNT1CDK9JAK2MEN1
SCHEMBL2198205 0.77 BRD4 (0.40) BRD4CCNT1CDK9JAK2MEN1
SCHEMBL2195955 0.77 CDK9 (0.42) BRD4CCNT1CDK9CDC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116530-B1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-14 EP disclosed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP disclosed