SCHEMBL14214534

SCHEMBL14214534

COc1cc(Nc2ncnc(Nc3ccc(N4CCCCC4)cc3)n2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.60
IGF1R P08069 2/20 0.59
EPHB4 P54760 1/20 0.59
ZAP70 P43403 1/20 0.55
CDK4 P11802 4/20 0.54
CCND1 P24385 4/20 0.54
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
NPC1 O15118 1/20 0.54
PABPC1 P11940 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDR P35968 2/20 0.54
AURKB Q96GD4 2/20 0.54
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL14214721 0.79 IGF1R (0.68) IGF1REPHB4CDK2KDRAURKB
SCHEMBL12185021 0.79 ZAP70 (0.72) IGF1RZAP70PRKD3LCKPRKCQ
SCHEMBL6975169 0.77 BRD4 (0.78) BRD4IGF1RZAP70JAK2JAK3
SCHEMBL6981363 0.77 PLK4 (0.67) BRD4IGF1RZAP70AURKBAURKA
SCHEMBL17526330 0.76 BRD4 (1.00) BRD4ALK
SCHEMBL17526250 0.76 BRD4 (1.00) BRD4
SCHEMBL31163073 0.76 BRD4 (1.00) BRD4
SCHEMBL12184869 0.75 JAK2 (0.66) BRD4ZAP70KDRAURKBADORA3
SCHEMBL1927928 0.74 IGF1R (0.61) IGF1REPHB4RAB9AL3MBTL1KDR
SCHEMBL6480192 0.74 IGF1R (0.65) IGF1REPHB4KDRAURKBPTK2

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-1218360-B1 TRIAZINE KINASE INHIBITORS AMGEN INC (US) 2008-05-28 EP disclosed