SCHEMBL1493367

SCHEMBL1493367

Nc1cc(-c2cn[nH]c2N)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GAA P10253 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.40
ILK Q13418 6/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1493393 0.67 ALDH1A1 (0.34) GAAMAPTKDM4EALDH1A1NPC1
SCHEMBL922676 0.67 PIM1 (0.44) MAPK1
SCHEMBL15661004 0.65 GAA (0.45) LMNAGAAMAPTKDM4EILK
SCHEMBL17355073 0.65 ALOX15 (0.58) LMNAGAAMAPTKDM4EALDH1A1
SCHEMBL17355102 0.65 ADORA3 (0.51) LMNAGAAKDM4EALDH1A1NPC1
SCHEMBL2083395 0.65 IDO1 (0.49) GAAMAPTKDM4EALDH1A1MAPK1
SCHEMBL1857868 0.65 NPC1 (0.54) LMNAGAAMAPTKDM4EALDH1A1
SCHEMBL3499089 0.65 ALPL (0.57) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL31324688 0.65 ALPL (0.57) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL17980230 0.65 AURKA (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104411707-B Substituted phenylimidazopyrazoles and their use 拜耳药业股份公司 2017-03-01 CN disclosed
CN-104903310-A Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC 2015-09-09 CN disclosed
CN-104411707-A Substituted phenylimidazopyrazoles and their use Bayer Pharma AG 2015-03-11 CN disclosed
WO-2014078325-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
WO-2012158413-A2 PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-22 WO disclosed
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed