SCHEMBL2962449

SCHEMBL2962449

CS(=O)(=O)CCC1NCCC1n1nc(-c2ccc3[nH]c(Cc4ccccc4F)nc3c2)c2c(N)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 20/20 0.55
▸ EGFR P00533 11/20 0.48
▸ ERBB2 P04626 11/20 0.48
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL2958118 0.84 IGF1R (0.64) IGF1REGFRERBB2CYP2D6
SCHEMBL2963660 0.83 IGF1R (0.60) IGF1REGFRERBB2CYP2D6
SCHEMBL2953655 0.75 IGF1R (0.71) IGF1REGFRERBB2CYP2D6
SCHEMBL2962616 0.75 IGF1R (0.71) IGF1REGFRERBB2CYP2D6
SCHEMBL2953657 0.75 IGF1R (0.71) IGF1REGFRERBB2CYP2D6
SCHEMBL2957993 0.74 IGF1R (0.62) IGF1REGFRERBB2CYP2D6
SCHEMBL2956438 0.73 IGF1R (0.60) IGF1REGFRERBB2
SCHEMBL2956433 0.73 IGF1R (0.60) IGF1REGFRERBB2
SCHEMBL2965040 0.73 IGF1R (0.60) IGF1REGFRERBB2
SCHEMBL2959491 0.73 IGF1R (0.59) IGF1REGFRERBB2

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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