SCHEMBL167754

SCHEMBL167754

CC(C)Oc1c[nH]nc1C(=O)Nc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ATM Q13315 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NTRK1 P04629 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL168202 0.86 NPC1 (0.49) KMT2ASMN1; SMN2MAPTPOLBMEN1
SCHEMBL164283 0.81 ALDH1A1 (0.49) KMT2ASMN1; SMN2MAPTPOLBMEN1
SCHEMBL954483 0.80 KMT2A (0.45) KMT2ASMN1; SMN2MAPTPOLBMEN1
SCHEMBL953263 0.77 CDK2 (0.54) KMT2ASMN1; SMN2POLBMEN1NPC1
SCHEMBL956114 0.77 CCNA2 (0.56) KMT2ASMN1; SMN2MAPTPOLBMEN1
SCHEMBL954030 0.76 POLB (0.43) KMT2ASMN1; SMN2MAPTPOLBMEN1
SCHEMBL4564408 0.75 ALDH1A1 (0.47) KMT2ASMN1; SMN2POLBMEN1NPC1
SCHEMBL956175 0.74 POLB (0.46) KMT2ASMN1; SMN2MAPTPOLBMEN1
SCHEMBL955330 0.74 PTPN1 (0.56) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL166628 0.74 LMNA (0.54) KMT2ASMN1; SMN2MAPTPOLBMEN1

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