SCHEMBL7719082

SCHEMBL7719082

CCC([C]=O)c1cnccn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL6685240 0.75 ATM (0.36) ATMGAATHRBRAB9AKMT2A
SCHEMBL949982 0.74 KCNA5 (0.46) GAAKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8507646 0.74 ATM (0.37) ATMGAATHRBRAB9AKMT2A
SCHEMBL12694263 0.72 RAB9A (0.41) ATMGAATHRBRAB9AKMT2A
SCHEMBL294332 0.72 RAB9A (0.41) ATMGAATHRBRAB9AKMT2A
SCHEMBL13104826 0.72 RAB9A (0.41) ATMGAATHRBRAB9AKMT2A
SCHEMBL10115951 0.72 RAB9A (0.41) ATMGAATHRBRAB9AKMT2A
SCHEMBL9992063 0.71 ATM (0.36) ATMGAATHRBRAB9AKMT2A
SCHEMBL20774847 0.71 ATM (0.36) ATMGAATHRBRAB9AKMT2A
SCHEMBL7718578 0.71 ATM (0.36) ATMGAATHRBRAB9AKMT2A

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-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 WO disclosed