SCHEMBL4726421

SCHEMBL4726421

Clc1ccc(C2=NCCN2)nc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 5/20 0.56
LMNA P02545 2/20 0.56
RECQL P46063 1/20 0.56
CYP1A2 P05177 3/20 0.53
KDM4E B2RXH2 3/20 0.53
PDCD1LG2 Q9BQ51 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
PMP22 Q01453 1/20 0.45

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
SCHEMBL545936 0.75 NISCH (0.56) NISCHLMNARECQLCYP1A2KDM4E
SCHEMBL30373695 0.75 NISCH (0.56) NISCHLMNARECQLCYP1A2KDM4E
SCHEMBL5879623 0.75 NISCH (0.51) NISCHLMNACYP1A2KDM4EPDCD1LG2
SCHEMBL7279147 0.73 P4HA1 (0.58) NISCHLMNACYP1A2KDM4EPDCD1LG2
SCHEMBL523059 0.73 LMNA (0.96) NISCHLMNARECQL
SCHEMBL30373758 0.72 NISCH (1.00) NISCHLMNACYP1A2KDM4EALDH1A1
SCHEMBL8188355 0.72 LMNA (0.92) NISCHLMNARECQL
SCHEMBL1345182 0.72 NISCH (1.00) NISCHLMNACYP1A2KDM4EALDH1A1
SCHEMBL197456 0.71 CCR1 (0.46) LMNAADRA2AADRA2BADRA2C
SCHEMBL31504098 0.71 CCR1 (0.46) LMNAADRA2AADRA2BADRA2C

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
WO-2008010796-A1 PROCESS FOR PREPARING PYRIDINE-2-CARBOXAMIDES AND INTERMEDIATES THEREFOR RENAISSANCE MEDICINE, LLC (US) 2008-01-24 WO claimed
WO-2008010794-A1 PHARMACEUTICAL PREPARATIONS OF CRYSTALLINE LAZABEMIDE RENAISSANCE MEDICINE, LLC (US) 2008-01-24 WO disclosed
WO-2008010796-A1 PROCESS FOR PREPARING PYRIDINE-2-CARBOXAMIDES AND INTERMEDIATES THEREFOR RENAISSANCE MEDICINE, LLC (US) 2008-01-24 WO disclosed
WO-2008010796-A1 PROCESS FOR PREPARING PYRIDINE-2-CARBOXAMIDES AND INTERMEDIATES THEREFOR RENAISSANCE MEDICINE, LLC (US) 2008-01-24 WO disclosed