SCHEMBL4685308

SCHEMBL4685308

CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3CN(C)C)c(=O)c2cc1F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.55
FBP1 P09467 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
MAPT P10636 2/20 0.33
F10 P00742 4/20 0.32
KMT2A Q03164 4/20 0.31
ALDH1A1 P00352 3/20 0.31
SLC22A12 Q96S37 1/20 0.30
LMNA P02545 3/20 0.30
MEN1 O00255 3/20 0.30
HTT P42858 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL4686051 0.93 P2RY12 (0.57) P2RY12FBP1PSEN1PSEN2APH1B
SCHEMBL4688501 0.93 P2RY12 (0.56) P2RY12FBP1PSEN1PSEN2APH1B
SCHEMBL4646800 0.92 P2RY12 (0.55) P2RY12FBP1PSEN1PSEN2APH1B
SCHEMBL4686749 0.90 P2RY12 (0.60) P2RY12FBP1PSEN1PSEN2APH1B
SCHEMBL4688906 0.89 P2RY12 (0.59) P2RY12FBP1MAPTKMT2AALDH1A1
SCHEMBL4683560 0.89 P2RY12 (0.53) P2RY12FBP1PSEN1PSEN2APH1B
SCHEMBL4860490 0.89 P2RY12 (0.58) P2RY12FBP1MAPTF10KMT2A
SCHEMBL5412473 0.88 P2RY12 (0.56) P2RY12FBP1MAPTF10
SCHEMBL4685193 0.88 P2RY12 (0.52) P2RY12FBP1PSEN1PSEN2APH1B
SCHEMBL4689919 0.88 P2RY12 (0.57) P2RY12FBP1PSEN1PSEN2APH1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667989-A4 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARM INC (US) 2008-08-20 EP disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed