SCHEMBL168201

SCHEMBL168201

COc1cn(-c2ccc(F)cc2)nc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSA P10619 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40

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
SCHEMBL167729 0.87 KMT2A (0.55) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL176199 0.86 KMT2A (0.50) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL13860921 0.85 KMT2A (0.67) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL168302 0.85 NPC1 (0.56) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL167753 0.85 NPC1 (0.47) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL164282 0.84 NPC1 (0.47) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL167000 0.81 NPC1 (0.73) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL31226974 0.79 CA12 (0.56) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL6467527 0.74 KDM4E (0.47) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL6499913 0.74 LRRK2 (0.46) KMT2ANPC1RAB9AMEN1KDM4E

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