SCHEMBL3134893

SCHEMBL3134893

COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1nc(Nc2ccsc2C(N)=O)c2ccnc-2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.55
▸ PLK1 P53350 9/20 0.53
▸ FGFR1 P11362 1/20 0.48
▸ CAMK2D Q13557 1/20 0.47
▸ TTK P33981 2/20 0.45
▸ EGFR P00533 2/20 0.45
▸ INSR P06213 2/20 0.45
▸ ALK Q9UM73 2/20 0.45
▸ MAPK10 P53779 1/20 0.45

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
SCHEMBL3133770 0.94 PLK1 (0.59) IGF1RPLK1INSRALK
SCHEMBL3133005 0.90 IGF1R (0.68) IGF1RPLK1TTKINSRALK
SCHEMBL3120115 0.89 IGF1R (0.52) IGF1RPLK1EGFRINSRALK
SCHEMBL2207868 0.87 IGF1R (0.51) IGF1RPLK1FGFR1CAMK2DTTK
SCHEMBL2208501 0.87 IGF1R (0.53) IGF1RPLK1FGFR1CAMK2DTTK
SCHEMBL2205196 0.86 IGF1R (0.60) IGF1RPLK1FGFR1CAMK2DTTK
SCHEMBL3129871 0.84 IGF1R (0.51) IGF1RPLK1INSRALK
SCHEMBL3125058 0.83 PLK1 (0.49) IGF1RPLK1EGFRINSRALK
SCHEMBL2207593 0.82 IGF1R (0.51) IGF1RPLK1EGFRINSRALK
SCHEMBL2207865 0.81 MAPK10 (0.65) IGF1RPLK1FGFR1CAMK2DEGFR

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-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 — — WO disclosed
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