SCHEMBL11200575

SCHEMBL11200575

Cc1sc2nc(N3CCNCC3)nc(N)c2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.47
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
UBE2N P61088 1/20 0.41
HRH1 P35367 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LIMK1 P53667 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IKBKB O14920 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL11202267 0.85 KDM4E (0.39) ABCB1ALDH1A1MAPTKDM4EAPAF1
SCHEMBL11203967 0.84 KDM4E (0.38) ABCB1ALDH1A1MAPTKDM4EAPAF1
SCHEMBL11203366 0.82 KHK (0.41) ALDH1A1MAPTKDM4EPOLBHRH1
SCHEMBL11201393 0.81 HRH1 (0.41) ALDH1A1MAPTKDM4EAPAF1POLB
SCHEMBL11197431 0.80 HRH1 (0.40) ALDH1A1MAPTKDM4EAPAF1POLB
SCHEMBL11204593 0.80 ABCB1 (0.43) ABCB1ALDH1A1MAPTKDM4EHPGD
SCHEMBL5309322 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBHPGDLMNA
SCHEMBL11197598 0.76 PRKCI (0.47) ALDH1A1MAPTKDM4EAPAF1POLB
SCHEMBL11200211 0.76 KDM4E (0.38) ALDH1A1MAPTKDM4EAPAF1POLB
SCHEMBL11202911 0.74 HTR2C (0.55) ABCB1ALDH1A1KDM4EHPGDLMNA

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-0082023-A2 Thienopyrimidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1983-06-22 EP disclosed