SCHEMBL20157175

SCHEMBL20157175

COC(=O)c1cc(-c2nnc3n2CCN(c2nc(OC(=O)c4cc(-c5nnc6n5CCN(c5ncccc5Cl)C6)c(C)cc4C)ccc2Cl)C3)c(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.40
TACR3 P29371 1/20 0.37
MALT1 Q9UDY8 3/20 0.36
RBP4 P02753 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
TRPA1 O75762 4/20 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
SCHEMBL20140384 0.92 MALT1 (0.41) P2RX7TACR3MALT1RBP4TRPV1
SCHEMBL20141643 0.82 P2RX7 (0.43) P2RX7TACR3MALT1TRPV1
SCHEMBL20141285 0.70 KDM4E (0.40) P2RX7
SCHEMBL20141394 0.67 MTOR (0.42) P2RX7TRPV1
SCHEMBL20141393 0.67 MTOR (0.42) P2RX7TRPV1
SCHEMBL20140774 0.65 GSK3B (0.38) P2RX7
SCHEMBL109151 0.58 P2RX7 (0.72) P2RX7
SCHEMBL2425939 0.57 MALT1 (0.64) MALT1TRPV1
SCHEMBL26669418 0.57 HSD17B10 (0.70) RBP4TRPA1
SCHEMBL14086101 0.57 MALT1 (0.51) MALT1RBP4TRPV1

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed