SCHEMBL10180165

SCHEMBL10180165

CC(C)NC(=O)c1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1.O=C(NCc1ccccc1)c1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ STK17A Q9UEE5 2/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ PRKCG P05129 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ FES P07332 1/20 0.47
▸ RET P07949 1/20 0.47
▸ ROS1 P08922 1/20 0.47
▸ FER P16591 1/20 0.47
▸ FLT1 P17948 1/20 0.47
▸ AXL P30530 1/20 0.47
▸ FLT4 P35916 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ IRAK1 P51617 1/20 0.47
▸ LIMK1 P53667 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
SCHEMBL1442745 0.95 HPGD (0.47) ROCK1ROCK2STK17AJAK2MAP4K4
SCHEMBL12811795 0.94 JAK2 (0.52) ROCK1STK17AJAK2MAP4K4CHEK2
SCHEMBL12812434 0.90 STK17A (0.51) STK17ALIMK1ERN1TP53P2RY12
SCHEMBL1442507 0.87 EGFR (0.50) ROCK1ROCK2MAP4K4PRKCGPKN2
SCHEMBL10180104 0.85 HDAC1 (0.51) ROCK1STK17AJAK2MAP4K4CHEK2
SCHEMBL1442481 0.83 HPGD (0.53) ROCK1ROCK2STK17AJAK2MAP4K4
SCHEMBL1443793 0.82 STK17A (0.48) STK17AERN1TP53MAPK1LMNA
SCHEMBL12811789 0.82 STK17A (0.49) STK17ALIMK1TP53P2RY12
SCHEMBL1442119 0.81 CDK8 (0.47) ROCK1ROCK2STK17AMAP4K4TP53
SCHEMBL1443306 0.80 HCRTR1 (0.45) AURKBMAPK1

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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP claimed
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