SCHEMBL4277472

SCHEMBL4277472

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3ccc([O])cc3[nH]2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 4/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42

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
SCHEMBL4277480 0.91 MAPT (0.47) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14222404 0.91 MAPT (0.47) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2735425 0.90 MAPT (0.46) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2759942 0.89 NPC1 (0.54) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14222343 0.88 MAPT (0.50) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2735414 0.88 KMT2A (0.53) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2735276 0.88 KMT2A (0.53) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL216400 0.85 LMNA (0.46) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL216662 0.85 MAPT (0.44) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14222939 0.85 MAPT (0.47) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E

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-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed