SCHEMBL19630404

SCHEMBL19630404

Cc1nc(N)cn2ccnc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
DYRK1A Q13627 1/20 0.37
TNKS O95271 1/20 0.36
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HTR2C P28335 1/20 0.33
SYK P43405 3/20 0.33
CD63 P08962 2/20 0.33
ADORA2A P29274 2/20 0.33
AURKA O14965 1/20 0.32

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
SCHEMBL15687846 0.80 L3MBTL1 (0.47) NUDT1L3MBTL1TNKSHTR2CSYK
SCHEMBL19865160 0.77 L3MBTL1 (0.53) NUDT1L3MBTL1TNKSHTR2CSYK
SCHEMBL10282182 0.77 NUDT1 (0.41) NUDT1L3MBTL1DYRK1ATNKSPIK3R1
SCHEMBL24995375 0.74 L3MBTL1 (0.42) NUDT1L3MBTL1TNKSHTR2CAURKA
SCHEMBL24174447 0.74 L3MBTL1 (0.42) NUDT1L3MBTL1TNKSHTR2C
SCHEMBL24156570 0.74 L3MBTL1 (0.42) NUDT1L3MBTL1TNKSHTR2C
SCHEMBL19629293 0.74 L3MBTL1 (0.39) NUDT1L3MBTL1TNKSSYKCD63
SCHEMBL15688262 0.73 NUDT1 (0.55) NUDT1L3MBTL1DYRK1ATNKSPIK3R1
SCHEMBL24033106 0.72 ALDH1A1 (0.36) NOS3NOS1NOS2ADORA2A
SCHEMBL3525899 0.72 NUDT1 (0.52) NUDT1L3MBTL1DYRK1ATNKSADORA2A

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-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 EP disclosed
WO-2017200857-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2017-11-23 WO disclosed