SCHEMBL3133732

SCHEMBL3133732

COc1ccc(OCCCN(C)C)cc1Nc1nc(Nc2ccsc2C(N)=O)c2ccnc-2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 8/20 0.46
▸ MAPK8 P45983 3/20 0.46
▸ ABL1 P00519 2/20 0.40
▸ BCR P11274 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ INSR P06213 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHEK2 O96017 2/20 0.37
▸ GRK2 P25098 1/20 0.36
▸ GRK5 P34947 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL3122691 0.90 IGF1R (0.41) IGF1RMAPK8ABL1BCRINSR
SCHEMBL2209019 0.86 IGF1R (0.51) IGF1RMAPK8ABL1BCRKMT2A
SCHEMBL3133614 0.76 IGF1R (0.58) IGF1RMAPK8INSRALKGRK2
SCHEMBL3133066 0.76 IGF1R (0.57) IGF1RMAPK8INSRALKGRK2
SCHEMBL3265898 0.75 IGF1R (0.44) IGF1RMAPK8ABL1BCRKMT2A
SCHEMBL3124996 0.75 IGF1R (0.58) IGF1RMAPK8INSRALKGRK2
SCHEMBL3122538 0.74 IGF1R (0.59) IGF1RMAPK8INSRALKGRK2
SCHEMBL3127904 0.73 IGF1R (0.51) IGF1RMAPK8INSRALKGRK2
SCHEMBL2206637 0.73 CDK4 (0.40) IGF1RMAPK8KDM4ESMN1; SMN2HSD17B10
SCHEMBL3128720 0.73 IGF1R (0.52) IGF1RINSRALKGRK2GRK5

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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