SCHEMBL9626040

SCHEMBL9626040

CCc1ncnc(NCCOc2ccc(Cc3ccccc3)cc2C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.38
PIK3R1 P27986 2/20 0.38
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 2/20 0.36
MAPK1 P28482 2/20 0.35
BRD4 O60885 1/20 0.35
ERBB4 Q15303 1/20 0.35
PDE5A O76074 1/20 0.35
ATM Q13315 1/20 0.35
APP P05067 1/20 0.34
HRH1 P35367 1/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 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
SCHEMBL9737429 0.85 L3MBTL1 (0.47) PIK3CDPIK3R1LTA4HMAPTCYP1A2
SCHEMBL10434916 0.84 TP53 (0.36) EGFRERBB2KDM4EMEN1KMT2A
SCHEMBL11280715 0.81 MAPT (0.38) EGFRERBB2KDM4EMEN1KMT2A
SCHEMBL11107034 0.79 PDE5A (0.38) PIK3CDPIK3R1EGFRERBB2KDM4E
SCHEMBL9450884 0.78 LTA4H (0.38) EGFRERBB2KDM4EMEN1KMT2A
SCHEMBL11285261 0.78 SMN1; SMN2 (0.37) KDM4EMEN1KMT2AMAPK1APP
SCHEMBL11281476 0.78 S1PR2 (0.39) KDM4EMEN1KMT2AMAPK1APP
SCHEMBL10378449 0.77 TP53 (0.36) KDM4EMEN1KMT2AMAPK1APP
SCHEMBL11108006 0.75 MAPT (0.39) KDM4EMEN1KMT2AMAPK1PDE5A
SCHEMBL11289412 0.75 SMN1; SMN2 (0.40) KDM4EKMT2AMAPK1MAPTALDH1A1

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-0467760-A1 Pyrimidine derivatives, methods for producing them, and fungicides, insecticides and/or acaricides containing them as active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-01-22 EP disclosed
EP-0453137-A2 Aminopyrimidine derivatives, a process for production thereof, and uses thereof NIHON NOHYAKU CO., LTD. (JP) 1991-10-23 EP disclosed