SCHEMBL12065272

SCHEMBL12065272

C=C(C)c1cccc(C(=O)Nc2ccc(C)c(N)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.52
▸ MEN1 O00255 7/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ THRB P10828 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ KCNK3 O14649 2/20 0.49
▸ KCNK9 Q9NPC2 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ DDR1 Q08345 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ DDR2 Q16832 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ FKBP5 Q13451 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ KIT P10721 1/20 0.47

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
SCHEMBL4748653 0.85 KCNK3 (0.69) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL3241551 0.83 KMT2A (0.69) KMT2AMEN1NPC1RAB9AKCNK3
SCHEMBL29502995 0.83 KMT2A (0.69) KMT2AMEN1NPC1RAB9AKCNK3
SCHEMBL19070454 0.82 MAPT (0.59) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL3101556 0.82 RAB9A (0.59) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL12192807 0.82 KCNK3 (0.64) RXFP1NPC1RAB9AKCNK3KCNK9
SCHEMBL5897054 0.80 MAPK14 (0.65) RAB9AKCNK3KDM4EMAPTMAPK14
SCHEMBL374471 0.79 PTGS1 (0.70) KMT2AMEN1RAB9AKCNK3KCNK9
SCHEMBL10092868 0.79 CSF1R (0.55) KMT2AMEN1RAB9AKCNK3KCNK9
Hydrochloric Acid SCHEMBL5004557 0.78 PTGS1 (0.68) KMT2AMEN1RAB9AKCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011147764-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS N.V. ORGANON (NL) 2011-12-01 — — WO disclosed
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