SCHEMBL3979516

SCHEMBL3979516

COc1cc(CCc2cc(Nc3ccnc(NCc4cccc(C(N)=O)n4)n3)[nH]n2)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.57
FGFR1 P11362 6/20 0.57
KDR P35968 5/20 0.57
INSR P06213 1/20 0.47
NR3C2 P08235 1/20 0.38
FGFR2 P21802 1/20 0.37
ROCK1 Q13464 1/20 0.37
FGFR3 P22607 2/20 0.37
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
ZAP70 P43403 1/20 0.36
KARS1 Q15046 1/20 0.36
AURKA O14965 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL3981643 0.94 IGF1R (0.50) IGF1RFGFR1KDRINSRNR3C2
SCHEMBL3979717 0.91 IGF1R (0.47) IGF1RFGFR1KDRINSRROCK1
SCHEMBL3978684 0.86 CDC7 (0.48) IGF1RFGFR1KDRCDK2AURKA
SCHEMBL3982541 0.85 IGF1R (0.77) IGF1RFGFR1KDRINSRFGFR2
SCHEMBL3932077 0.83 IGF1R (0.59) IGF1RFGFR1KDRINSRNR3C2
SCHEMBL4301707 0.82 IGF1R (0.58) IGF1RFGFR1KDRINSR
SCHEMBL4031157 0.81 IGF1R (0.78) IGF1RFGFR1KDRINSR
SCHEMBL3931633 0.80 IGF1R (0.61) IGF1RFGFR1KDRINSRNR3C2
SCHEMBL3983403 0.80 IGF1R (0.67) IGF1RFGFR1KDRINSRNR3C2
SCHEMBL3950749 0.77 IGF1R (0.67) IGF1RFGFR1KDRINSRNTRK1

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-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed