SCHEMBL7051669

SCHEMBL7051669

C#Cc1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)ncnc2s1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.70
MEN1 O00255 12/20 0.47
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HRH4 Q9H3N8 1/20 0.40
RBP4 P02753 1/20 0.40

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
SCHEMBL5849523 0.84 P2RY12 (0.74) P2RY12MEN1KMT2AALDH1A1KDM4E
SCHEMBL7064496 0.83 ALDH1A1 (0.52) P2RY12MEN1KMT2AALDH1A1KDM4E
SCHEMBL5851617 0.83 P2RY12 (0.82) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5851381 0.82 P2RY12 (1.00) P2RY12MEN1KMT2AALDH1A1KDM4E
SCHEMBL5851612 0.82 P2RY12 (0.71) P2RY12MEN1KMT2AALDH1A1KDM4E
SCHEMBL5849809 0.81 P2RY12 (0.73) P2RY12MEN1KMT2AALDH1A1KDM4E
SCHEMBL5849588 0.80 P2RY12 (0.68) P2RY12MEN1KMT2AALDH1A1KDM4E
SCHEMBL5849512 0.80 P2RY12 (0.85) P2RY12MEN1KMT2AALDH1A1KDM4E
SCHEMBL5849667 0.80 KDM4E (0.71) P2RY12MEN1KMT2AALDH1A1KDM4E
SCHEMBL5849530 0.79 KIT (0.52) P2RY12MEN1KMT2AALDH1A1KDM4E

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-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed