SCHEMBL1736050

SCHEMBL1736050

Cc1c(C)n(Cc2cccc(F)c2)c2c(N3CCc4ccccc4C3)nc(N3CCOCC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 3/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
NAPEPLD Q6IQ20 1/20 0.37
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIK3CG P48736 1/20 0.36
AKT1 P31749 1/20 0.36
GRIN2D O15399 3/20 0.36

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
Hydrochloric Acid SCHEMBL1737041 0.99 PIK3CB (0.42) PIK3CBPIK3CDPIK3CANAPEPLDATR
SCHEMBL1737380 0.89 MAPT (0.41) PIK3CBPIK3CDPIK3CAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1737248 0.88 MAPT (0.40) PIK3CBPIK3CDPIK3CAKDM4EALDH1A1
SCHEMBL1738725 0.88 MAPT (0.38) KDM4EALDH1A1MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1736624 0.87 MAPT (0.38) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1736282 0.86 LMNA (0.44) ALDH1A1LMNASMN1; SMN2PDE1APDE1B
SCHEMBL1735946 0.85 MAPT (0.36) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1735595 0.85 MAPT (0.37) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1737192 0.85 GRIN2D (0.43) PIK3CDKDM4EALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL1735624 0.85 LMNA (0.43) ALDH1A1LMNASMN1; SMN2PDE1APDE1B

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-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed