SCHEMBL2954011

SCHEMBL2954011

CCOC(=O)N1CCN([C@H]2CC[C@H](n3nc(-c4ccc5nc(Cc6ccccc6OC)[nH]c5c4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 20/20 1.00
▸ EGFR P00533 10/20 1.00
▸ ERBB2 P04626 10/20 1.00
▸ CYP2D6 P10635 1/20 0.75

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
SCHEMBL2967702 1.00 IGF1R (1.00) IGF1REGFRERBB2CYP2D6
SCHEMBL2959327 0.93 IGF1R (0.90) IGF1REGFRERBB2CYP2D6
SCHEMBL2960930 0.91 IGF1R (1.00) IGF1REGFRERBB2CYP2D6
SCHEMBL2958312 0.91 IGF1R (1.00) IGF1REGFRERBB2CYP2D6
SCHEMBL2958314 0.91 IGF1R (1.00) IGF1REGFRERBB2CYP2D6
SCHEMBL2962503 0.90 IGF1R (0.88) IGF1REGFRERBB2CYP2D6
SCHEMBL2969343 0.90 IGF1R (0.88) IGF1REGFRERBB2CYP2D6
SCHEMBL2962500 0.90 IGF1R (0.88) IGF1REGFRERBB2CYP2D6
SCHEMBL2958334 0.89 IGF1R (0.82) IGF1REGFRERBB2CYP2D6
SCHEMBL2956092 0.89 IGF1R (0.82) IGF1REGFRERBB2CYP2D6

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
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 — — US claimed
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