SCHEMBL7880633

SCHEMBL7880633

Bc1c(OC2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.58
KIF5B P33176 4/20 0.58
KDR P35968 4/20 0.58
ETV6 P41212 2/20 0.58
CCDC6 Q16204 2/20 0.58
LCK P06239 3/20 0.46
CSF1R P07333 3/20 0.46
LYN P07948 3/20 0.46
PDGFRB P09619 3/20 0.46
FGR P09769 3/20 0.46
KIT P10721 3/20 0.46
SRC P12931 3/20 0.46
PDGFRA P16234 3/20 0.46
FGFR2 P21802 3/20 0.46
BLK P51451 3/20 0.46
ABL1 P00519 2/20 0.46
NPM1 P06748 2/20 0.46
BCR P11274 2/20 0.46
FLT3 P36888 2/20 0.46
SYK P43405 2/20 0.46

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
SCHEMBL584891 0.89 RET (0.58) RETKIF5BKDRETV6CCDC6
SCHEMBL2679666 0.86 KDR (0.57) RETKIF5BKDRETV6CCDC6
SCHEMBL1022445 0.81 RET (0.49) RETKIF5BKDRETV6CCDC6
SCHEMBL10280314 0.77 KDR (0.45) RETKIF5BKDRETV6CCDC6
SCHEMBL10235075 0.77 CHEK1 (0.63) RETKIF5BKDRETV6CCDC6
SCHEMBL7882706 0.76 CHEK1 (0.66) RETKIF5BKDRETV6CCDC6
SCHEMBL7882475 0.76 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7885824 0.76 MTOR (0.44) RETKIF5BKDRETV6CCDC6
SCHEMBL597238 0.74 CHEK1 (0.52) RETKIF5BKDRETV6CCDC6
SCHEMBL10238494 0.74 CHEK1 (0.46) RETKIF5BKDRETV6CCDC6

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
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed