SCHEMBL13838325

SCHEMBL13838325

CNCC(C=N)c1ccc(Cl)c(-c2ccc(NC(=O)c3cnccc3C)nc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ ABCC1 P33527 1/20 0.36
▸ WNT3A P56704 2/20 0.36
▸ KLRK1 P26718 2/20 0.36
▸ MICA Q29983 2/20 0.36
▸ RAET1L Q5VY80 2/20 0.36
▸ IL2 P60568 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ XIAP P98170 1/20 0.35
▸ BIRC2 Q13490 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ TEK Q02763 1/20 0.35

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
SCHEMBL13838605 0.93 ABL1 (0.41) CSNK1DCSNK1EABL1ABCB1ABCC1
SCHEMBL19228842 0.78 ABCB1 (0.39) NPC1RAB9AHTTALOX15ABCB1
SCHEMBL13838572 0.77 IL2 (0.37) ABL1IL2
SCHEMBL15803780 0.77 NPC1 (0.43) NPC1RAB9AHTTALOX15ABCB1
SCHEMBL13838416 0.77 PORCN (0.44) NPC1RAB9AHTTALOX15ABCB1
SCHEMBL13838528 0.77 RAB9A (0.42) NPC1RAB9AHTTALOX15ABCB1
SCHEMBL13838334 0.76 F10 (0.46) CSNK1DCSNK1ENPC1RAB9AHTT
SCHEMBL13838400 0.73 DYRK1A (0.50) CSNK1DCSNK1E
SCHEMBL13838423 0.73 ABCB1 (0.43) NPC1RAB9AHTTALOX15ABCB1
SCHEMBL13728419 0.73 GRM5 (0.42) NPC1RAB9AHTTALOX15ABL1

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-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — WO disclosed
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