SCHEMBL4044006

SCHEMBL4044006

Cc1ccccc1-c1nc(N)c(C(=O)O)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 1/20 0.46
▸ PRKDC P78527 1/20 0.44
▸ ATR Q13535 1/20 0.44
▸ ADORA2A P29274 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ SLC9A5 Q14940 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ SCNN1A P37088 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ HPGD P15428 4/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ MYC P01106 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ NFKB1 P19838 2/20 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
SCHEMBL544545 0.87 CTSA (0.42) CTSAPRKDCATRADORA2AIKBKB
SCHEMBL11907077 0.84 PLAU (0.48) CTSAPRKDCATRADORA2AIKBKB
SCHEMBL22551832 0.74 GRM5 (0.48) ADORA2AKDM4ELMNAGRM5KMT2A
SCHEMBL3864268 0.74 PLAU (0.54) CTSASLC9A5ALDH1A1SMN1; SMN2NPC1
SCHEMBL5425548 0.72 SMN1; SMN2 (0.52) CTSAALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL11909154 0.72 ATR (0.72) PRKDCATR
SCHEMBL30170628 0.72 NPC1 (0.44) CTSAATRADORA2AALDH1A1SMN1; SMN2
SCHEMBL20560347 0.72 NPC1 (0.44) CTSAATRADORA2AALDH1A1SMN1; SMN2
SCHEMBL11908963 0.72 PLAU (0.48) PRKDCATRIKBKBALDH1A1DPP4
SCHEMBL4584187 0.71 ADORA2A (0.43) ATRADORA2ASLC9A5DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439193-B1 Derivatives of 5,6-bisaryl-2-pyridine-carboxamide, preparation and use thereof in therapeutics as antagonists of urotensin II receptors SANOFI SA (FR) 2014-04-23 — — EP disclosed
EP-2059508-B1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI SA (FR) 2012-04-11 — — EP disclosed
EP-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 — — EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 — — WO disclosed
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