SCHEMBL164283

SCHEMBL164283

COCCOc1c[nH]nc1C(=O)Nc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CXCR1 P25024 6/20 0.48
CXCR2 P25025 6/20 0.48
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AXL P30530 1/20 0.41
L3MBTL1 Q9Y468 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 0.85 NPC1 (0.49) ALDH1A1CXCR1CXCR2POLBKMT2A
SCHEMBL167754 0.81 KMT2A (0.46) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL16451197 0.75 HCAR2 (0.40) ALDH1A1POLBKMT2AMAPTMEN1
SCHEMBL953263 0.74 CDK2 (0.54) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL956114 0.74 CCNA2 (0.56) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL8221792 0.72 RAB9A (0.51) POLBRAB9AMAPTGAASMN1; SMN2
SCHEMBL4564408 0.72 ALDH1A1 (0.47) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL959184 0.72 CDK2 (0.58) ALDH1A1CXCR1CXCR2POLBKMT2A
SCHEMBL954483 0.72 KMT2A (0.45) ALDH1A1CXCR1CXCR2POLBKMT2A
SCHEMBL956175 0.72 POLB (0.46) ALDH1A1CXCR1CXCR2POLBKMT2A

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