SCHEMBL1737428

SCHEMBL1737428

C#CCn1c(C)c(C)c2ccnc(COc3ccc(F)cc3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM5 P41594 3/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 2/20 0.32
HASPIN Q8TF76 1/20 0.31
DYRK1A Q13627 1/20 0.31
APP P05067 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCHE P06276 1/20 0.31

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 SCHEMBL1735483 0.99 ACHE (0.42) ACHENPC1RAB9ATP53SMN1; SMN2
SCHEMBL1737253 0.85 DYRK1A (0.38) NPC1RAB9ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1736373 0.84 DYRK1A (0.38) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL5808904 0.84 ACHE (0.42) ACHETP53SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1737404 0.83 DYRK1A (0.40) NPC1RAB9ATP53CYP1A2CYP3A4
SCHEMBL1736156 0.83 MAPT (0.42) ACHETP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5808648 0.83 ACHE (0.42) ACHETP53SMN1; SMN2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1737655 0.82 DYRK1A (0.40) NPC1RAB9ATP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736249 0.82 MAPT (0.42) TP53CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1739067 0.81 RAB9A (0.41) NPC1RAB9ATP53CYP1A2CYP3A4

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