SCHEMBL13460040

SCHEMBL13460040

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCCC(C)C3)nc2s1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.64
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR7 Q9NYK1 1/20 0.37
CYP8B1 Q9UNU6 12/20 0.35

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
SCHEMBL1968104 0.91 P2RY12 (0.63) P2RY12MEN1KMT2ACYP8B1
SCHEMBL1966680 0.91 P2RY12 (0.63) P2RY12MEN1KMT2ACYP8B1
SCHEMBL1968587 0.91 P2RY12 (0.63) P2RY12MEN1KMT2ACYP8B1
SCHEMBL1966682 0.91 P2RY12 (0.63) P2RY12MEN1KMT2ACYP8B1
SCHEMBL12409287 0.91 P2RY12 (0.63) P2RY12MEN1KMT2ACYP8B1
SCHEMBL1974132 0.90 P2RY12 (0.73) P2RY12MEN1KMT2A
SCHEMBL1966481 0.90 P2RY12 (0.61) P2RY12MEN1KMT2ACYP8B1
SCHEMBL1968023 0.89 P2RY12 (0.60) P2RY12MEN1KMT2ACYP8B1
SCHEMBL12491713 0.89 P2RY12 (0.70) P2RY12MEN1KMT2A
SCHEMBL1968063 0.89 P2RY12 (0.64) P2RY12MEN1KMT2ACYP8B1

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-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed