SCHEMBL164284

SCHEMBL164284

COCCOc1c(C(N)=O)n[nH]c1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
DHPS P49366 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
NTRK1 P04629 1/20 0.36
GRIN2B Q13224 1/20 0.36
HAO2 Q9NYQ3 1/20 0.36
CHEK2 O96017 2/20 0.36
CHEK1 O14757 1/20 0.36
PARP1 P09874 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
SQOR Q9Y6N5 2/20 0.35
FYN P06241 1/20 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
SCHEMBL168203 0.84 TUBB4A (0.43) LMNATP53MAPTTHRBNTRK1
SCHEMBL167755 0.79 IRAK4 (0.39) MAPTHAO2
SCHEMBL166629 0.68 CDC7 (0.39) MAPK1LMNATP53MAPTTHRB
SCHEMBL28287263 0.66 IKBKB (0.47) LMNAMAPT
SCHEMBL20075097 0.66 SLC34A1 (0.47) MAPK1TP53MAPTTHRBNTRK1
SCHEMBL7989696 0.66 ALOX5 (0.47) LMNATP53MAPTCHEK2
SCHEMBL164282 0.66 NPC1 (0.47) MALT1LMNAPARP1
SCHEMBL20074772 0.65 HAO2 (0.42) MAPK1MAPTHAO2
SCHEMBL20075637 0.65 GABRA2 (0.43) MAPK1LMNAMAPT
SCHEMBL4964605 0.65 HAO2 (0.53) LMNAMAPTHAO2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO disclosed