SCHEMBL8324359

SCHEMBL8324359

CNC(=C(C#N)C#N)N(C)C1CCCN(Cc2ccncc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
PDE2A O00408 1/20 0.35
GBA1 P04062 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL7495134 0.80 PKM (0.35) MAPTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL8324364 0.77 KMT2A (0.42) MAPTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL7495142 0.68 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2C9KMT2AALDH1A1
SCHEMBL27197955 0.68 ACHE (0.42) MAPTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL27197957 0.68 ACHE (0.42) MAPTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL25740910 0.67 CYP1A2 (0.51) MAPTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL17828047 0.67 CYP1A2 (0.51) MAPTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL8330451 0.67 ALDH1A1 (0.49) MAPTPOLBKMT2AALDH1A1MEN1
SCHEMBL19717464 0.66 BCHE (0.61) CYP1A2CYP3A4CYP2C9KMT2AALDH1A1
SCHEMBL8330567 0.66 POLB (0.38) MAPTPOLBCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed