SCHEMBL27836765

SCHEMBL27836765

Nc1ncc(Br)nc1-c1nnc(-c2ccc(CCBr)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.50

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
SCHEMBL30829214 0.90 ATR (0.52) ATR
SCHEMBL506643 0.90 ATR (0.52) ATR
SCHEMBL14865797 0.89 ATR (0.51) ATR
SCHEMBL13346570 0.87 ATR (0.52) ATR
SCHEMBL13353963 0.86 ATR (0.53) ATR
SCHEMBL614761 0.82 ATR (0.63) ATR
SCHEMBL3052109 0.81 ATR (0.52) ATR
SCHEMBL29243947 0.81 ATR (0.55) ATR
SCHEMBL560532 0.81 ATR (0.74) ATR
SCHEMBL19664710 0.79 ATR (0.55) ATR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103562204-A Aminopyrazine compounds useful as inhibitors of TRA kinase VERTEX PHARMA 2014-02-05 CN disclosed
CN-102300862-A Compounds useful as inhibitors of ATR kinase 2011-12-28 CN disclosed