SCHEMBL14357271

SCHEMBL14357271

CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccccc4)cc3)c(=O)c2cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.46
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
LMNA P02545 3/20 0.41
PPARG P37231 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CAMK2D Q13557 1/20 0.40
TP53 P04637 1/20 0.40
SCN3A Q9NY46 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 3/20 0.38
CYP2C9 P11712 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
BDKRB1 P46663 1/20 0.36
CA4 P22748 1/20 0.35

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
SCHEMBL4688475 0.87 CAMK2D (0.41) P2RY12CA12CA9LMNAPPARG
SCHEMBL4688356 0.86 P2RY12 (0.49) P2RY12LMNAMEN1KMT2AL3MBTL1
SCHEMBL14357212 0.85 P2RY12 (0.49) P2RY12CA12CA9LMNAPPARG
SCHEMBL14357209 0.84 P2RY12 (0.55) P2RY12CA12CA9LMNAPPARG
SCHEMBL4689072 0.84 P2RY12 (0.54) P2RY12LMNAMEN1KMT2ATP53
SCHEMBL2947719 0.84 P2RY12 (0.67) P2RY12LMNAMEN1KMT2AALDH1A1
SCHEMBL14357267 0.84 P2RY12 (0.45) P2RY12CA12CA9LMNAPPARG
SCHEMBL14357257 0.83 P2RY12 (0.52) P2RY12MEN1KMT2ATP53
SCHEMBL14357216 0.83 P2RY12 (0.54) P2RY12CA12CA9LMNAMEN1
SCHEMBL14357274 0.83 P2RY12 (0.48) P2RY12CA12CA9MEN1KMT2A

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
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