SCHEMBL760315

SCHEMBL760315

Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.49
KDR P35968 1/20 0.49
CDK1 P06493 2/20 0.48
BRD4 O60885 9/20 0.47
JAK2 O60674 2/20 0.46
CYP3A4 P08684 2/20 0.46
JAK1 P23458 2/20 0.46
JAK3 P52333 2/20 0.46
STK17A Q9UEE5 2/20 0.45
CDK4 P11802 1/20 0.44
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
EPHX2 P34913 1/20 0.44
AXL P30530 1/20 0.43
ULK1 O75385 2/20 0.43
ULK2 Q8IYT8 2/20 0.43

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
SCHEMBL264267 0.91 BRD4 (0.51) CDK1BRD4JAK2CYP3A4JAK1
SCHEMBL270949 0.88 BRD4 (0.49) BRD4STK17AAXL
SCHEMBL271507 0.85 BRD4 (0.62) KDRBRD4JAK2CYP3A4JAK1
SCHEMBL271520 0.82 AURKA (0.51) CDK2KDRBRD4JAK2JAK1
SCHEMBL265703 0.80 BRD4 (0.63) KDRBRD4JAK2CYP3A4JAK1
SCHEMBL271306 0.79 JAK2 (0.56) BRD4JAK2CYP3A4JAK1JAK3
SCHEMBL270995 0.79 BRD4 (0.61) CDK2KDRCDK1BRD4JAK2
SCHEMBL266088 0.79 BRD4 (0.56) BRD4STK17AAXL
SCHEMBL271021 0.79 SYK (0.68) CDK2KDRCDK1BRD4JAK2
SCHEMBL17915945 0.79 RAPGEF4 (0.52) KDRBRD4JAK2CYP3A4JAK1

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-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed