SCHEMBL168303

SCHEMBL168303

CCONC(=O)c1ccn(-c2ccc(F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 3/20 0.44
UBE2N P61088 4/20 0.43
ACKR3 P25106 1/20 0.41
MAPT P10636 1/20 0.40
MGLL Q99685 2/20 0.39
FAAH O00519 1/20 0.39
POLB P06746 1/20 0.39
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL164750 0.82 HTR7 (0.43) NPC1RAB9AKMT2AACKR3MAPT
SCHEMBL15754826 0.80 NPC1 (0.60) L3MBTL1KDM4ENPC1LMNARAB9A
SCHEMBL28291686 0.77 KMT2A (0.50) L3MBTL1KDM4ENPC1LMNARAB9A
SCHEMBL19778587 0.75 KMT2A (0.54) L3MBTL1KDM4ENPC1LMNARAB9A
SCHEMBL168402 0.75 KMT2A (0.54) L3MBTL1KDM4EKMT2AUBE2NMAPT
SCHEMBL14150735 0.74 KMT2A (0.64) L3MBTL1KDM4EKMT2AUBE2NACKR3
SCHEMBL11105039 0.72 HDAC3 (0.54) KDM4ENPC1LMNARAB9AKMT2A
SCHEMBL5962907 0.71 SCN4A (0.49) L3MBTL1KDM4EKMT2A
SCHEMBL13860920 0.71 GAA (0.54) L3MBTL1KDM4ENPC1LMNAMAPT
SCHEMBL15412947 0.68 KDM4E (0.44) L3MBTL1KDM4ENPC1LMNARAB9A

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