SCHEMBL7974201

SCHEMBL7974201

COC(=O)c1ccc(Nc2nccc(-c3c(C(F)(F)F)nc4cc(OC)ccn34)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.46
SYK P43405 4/20 0.43
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
AURKA O14965 1/20 0.41
INSR P06213 1/20 0.41
SRC P12931 4/20 0.41
ZAP70 P43403 3/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
PTK2 Q05397 1/20 0.39
CAMK2D Q13557 1/20 0.39
CDK2 P24941 2/20 0.39

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
SCHEMBL7963827 0.93 CCNT1 (0.51) IGF1RCCNT1CDK9AURKAINSR
SCHEMBL701224 0.92 IGF1R (0.47) IGF1RSYKCCNT1CDK9INSR
SCHEMBL10252086 0.90 SYK (0.43) SYKCCNT1CDK9AURKAINSR
SCHEMBL7976848 0.87 CDK2 (0.53) IGF1RSYKCCNT1CDK9AURKA
SCHEMBL7965204 0.86 CDK2 (0.54) IGF1RSYKAURKAINSRSRC
SCHEMBL700320 0.85 HDAC1 (0.53) IGF1RINSRABL1EGFRERBB2
SCHEMBL7975185 0.82 INSR (0.42) IGF1RSYKINSREGFRERBB2
SCHEMBL10251986 0.81 CCNT1 (0.46) SYKCCNT1CDK9AURKAKMT2A
SCHEMBL699814 0.80 CDK2 (0.51) IGF1RCCNT1CDK9PTK2CAMK2D
SCHEMBL10252084 0.80 CAMK2D (0.48) ABL1BCRKMT2ACAMK2DCDK2

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
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO disclosed