SCHEMBL18313616

SCHEMBL18313616

COc1cc(C(=O)N2CCC(N3CCNCC3)CC2)ccc1N(C)c1ncc2c(n1)N(C)c1ccccc1C(=O)N2C

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 12/20 0.65
▸ LRRK2 Q5S007 11/20 0.64
▸ BRD4 O60885 7/20 0.64
▸ DCLK1 O15075 6/20 0.64
▸ BRDT Q58F21 3/20 0.64
▸ NUAK1 O60285 1/20 0.56
▸ KCNH2 Q12809 1/20 0.50
▸ PTK2 Q05397 1/20 0.47

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
SCHEMBL16982790 0.94 LRRK2 (0.73) MAPK7LRRK2BRD4DCLK1BRDT
SCHEMBL18313550 0.85 MAPK7 (0.67) MAPK7LRRK2BRD4DCLK1BRDT
SCHEMBL16982791 0.85 LRRK2 (0.70) MAPK7LRRK2BRD4DCLK1BRDT
SCHEMBL16065732 0.84 MAPK7 (0.89) MAPK7LRRK2BRD4DCLK1BRDT
SCHEMBL16974436 0.82 MAPK7 (0.53) MAPK7LRRK2BRD4DCLK1BRDT
SCHEMBL16980127 0.79 LRRK2 (0.76) MAPK7LRRK2BRD4DCLK1BRDT
SCHEMBL616339 0.79 MAPK7 (1.00) MAPK7LRRK2BRD4DCLK1BRDT
SCHEMBL22605975 0.79 LRRK2 (0.76) MAPK7LRRK2BRD4DCLK1BRDT
SCHEMBL18313552 0.78 MAPK7 (0.78) MAPK7LRRK2BRD4DCLK1BRDT
SCHEMBL616761 0.78 LRRK2 (1.00) MAPK7LRRK2BRD4DCLK1BRDT

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-2016201370-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-15 — — WO disclosed
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