SCHEMBL9737429

SCHEMBL9737429

CCc1ncnc(NCCOc2ccc(Cc3ccccc3)cc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
PIK3CD O00329 1/20 0.46
PIK3R1 P27986 1/20 0.46
LTA4H P09960 16/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
MAPT P10636 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
SCHEMBL9471998 0.88 PIK3CD (0.51) PIK3CDPIK3R1LTA4H
SCHEMBL9626040 0.85 PIK3CD (0.38) PIK3CDPIK3R1LTA4HCYP1A2CYP2D6
SCHEMBL8307878 0.80 HTT (0.54) PIK3CDPIK3R1HTTMAPT
SCHEMBL11109514 0.75 PIK3CD (0.57) PIK3CDPIK3R1
SCHEMBL17051142 0.74 HTT (0.42) HTTMAPT
SCHEMBL15684755 0.74 HTT (0.49) L3MBTL1HTTMAPT
SCHEMBL9185972 0.74 CCNC (0.51) CYP1A2HTT
SCHEMBL28673572 0.74 GAA (0.37) PIK3CDPIK3R1CYP1A2HTT
SCHEMBL29882152 0.74 GAA (0.37) PIK3CDPIK3R1CYP1A2HTT
SCHEMBL11104537 0.74 PIK3CD (0.56) L3MBTL1PIK3CDPIK3R1

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
JP-4225963-A None JP disclosed
JP-H04225963-A AMINOPYRIMIDINE DERIVATIVE, ITS PRODUCTION AND USE NIPPON NOHYAKU CO LTD 1992-08-14 JP disclosed
EP-0453137-A2 Aminopyrimidine derivatives, a process for production thereof, and uses thereof NIHON NOHYAKU CO., LTD. (JP) 1991-10-23 EP disclosed