SCHEMBL23967953

SCHEMBL23967953

CNCc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 3/20 0.48
EPHX2 P34913 1/20 0.48
HTR7 P34969 1/20 0.46
LRRK2 Q5S007 1/20 0.46
ALK Q9UM73 6/20 0.45
MAPK14 Q16539 1/20 0.44
UTS2R Q9UKP6 3/20 0.43
PTK6 Q13882 4/20 0.43
ERBB2 P04626 3/20 0.41
AURKA O14965 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
ACVR1 Q04771 1/20 0.41
AURKC Q9UQB9 1/20 0.41
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
AKT2 P31751 1/20 0.40

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
SCHEMBL16011810 0.85 EGFR (0.47) LRRK2ALKMAPK14UTS2RPTK6
SCHEMBL16011815 0.84 F3 (0.42) LRRK2ALKMAPK14UTS2RPTK6
SCHEMBL23967926 0.81 PTK6 (0.49) ALKMAPK14UTS2RPTK6ERBB2
SCHEMBL16024056 0.81 BRD4 (0.48) ALKPTK6EGFR
SCHEMBL16257469 0.81 LRRK2 (0.53) LRRK2ALKMAPK14UTS2RPTK6
SCHEMBL16011816 0.79 GRIN2D (0.43) LRRK2ALKMAPK14UTS2RPTK6
SCHEMBL20462095 0.78 PTK6 (0.48) LRRK2ALKMAPK14UTS2RPTK6
SCHEMBL16024047 0.78 ERBB2 (0.61) LRRK2ALKMAPK14PTK6ERBB2
SCHEMBL16011993 0.78 MAPK14 (0.48) ALKMAPK14PTK6ERBB2AURKA
SCHEMBL1719623 0.76 NUDT1 (0.61) PRMT6EPHX2LRRK2ALKAURKA

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-3189052-B1 CAMKII INHIBITORS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2021-11-03 EP disclosed