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SCHEMBL12439772

SCHEMBL12439772

Cc1cnc(Nc2cccc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C3)c2)nc1Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.67
▸ BRD4 O60885 5/20 0.47
▸ USP30 Q70CQ3 6/20 0.46
▸ NTRK1 P04629 2/20 0.44
▸ NTRK3 Q16288 1/20 0.44
▸ NTRK2 Q16620 1/20 0.44
▸ ANO1 Q5XXA6 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ BRDT Q58F21 1/20 0.41

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
SCHEMBL11340316 0.93 IGF1R (0.79) IGF1RUSP30NTRK1NTRK3NTRK2
SCHEMBL14320030 0.93 IGF1R (0.67) IGF1RUSP30NTRK1NTRK3NTRK2
SCHEMBL12439838 0.85 IGF1R (0.66) IGF1RBRD4USP30PDE10A
SCHEMBL11341564 0.85 IGF1R (0.78) IGF1RBRD4USP30PDE10A
SCHEMBL4458204 0.82 IGF1R (0.62) IGF1RNTRK1NTRK3NTRK2
SCHEMBL4464484 0.77 IGF1R (0.74) IGF1RBRD4BRDT
SCHEMBL11932348 0.73 IGF1R (0.54) IGF1R
SCHEMBL4457876 0.73 IGF1R (0.61) IGF1R
SCHEMBL4458462 0.73 IGF1R (0.75) IGF1RNTRK1NTRK3NTRK2
SCHEMBL27478555 0.71 USP30 (0.68) USP30ANO1PARP1

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-1841760-B1 PYRIMIDINE DERIVATIVES AS KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2011-08-10 — — EP disclosed