SCHEMBL7506325

SCHEMBL7506325

Cc1sc2nc(-c3ccncc3)nc(Cl)c2c1C.Cc1sc2nc(-c3ccncc3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 16/20 0.58
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5121254 0.96 PRKCI (0.62) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL5809171 0.90 PRKCI (0.48) PRKCIADORA2AADORA1
SCHEMBL7172515 0.89 ALDH1A1 (0.52) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL5129890 0.88 PRKCI (0.51) PRKCIADORA2AADORA1
SCHEMBL5121765 0.86 PRKCI (0.57) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL5814772 0.85 ADORA2A (0.48) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL5126022 0.85 CLK4 (0.54) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL5809508 0.84 GAA (0.40) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL8180806 0.83 FYN (0.46) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL7175621 0.83 GAA (0.47) PRKCIKDM4EALDH1A1LMNAGAA

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
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed