SCHEMBL5592425

SCHEMBL5592425

CCCC(=O)c1cnc(N2CCNCC2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 15/20 0.54
USP28 Q96RU2 1/20 0.41
USP25 Q9UHP3 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MELK Q14680 1/20 0.41

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
Hydrochloric Acid SCHEMBL4104799 0.99 P2RY12 (0.53) P2RY12USP28USP25MEN1KMT2A
SCHEMBL4098095 0.84 P2RY12 (0.61) P2RY12MEN1KMT2A
SCHEMBL2418989 0.83 SMN1; SMN2 (0.50) P2RY12
SCHEMBL4105294 0.82 P2RY12 (0.56) P2RY12
SCHEMBL907963 0.81 P2RY12 (0.61) P2RY12
SCHEMBL3926746 0.81 P2RY12 (0.45) P2RY12MEN1KMT2A
Hydrochloric Acid SCHEMBL30223405 0.81 P2RY12 (0.60) P2RY12
Hydrochloric Acid SCHEMBL23064299 0.80 P2RY12 (0.44) P2RY12MEN1KMT2A
SCHEMBL2418828 0.80 CHRNB2 (0.51) P2RY12
Hydrochloric Acid SCHEMBL31050106 0.80 P2RY12 (0.44) P2RY12MEN1KMT2A

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-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed