SCHEMBL6507541

SCHEMBL6507541

Nc1cnc(Cl)nc1Nc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ NR1I2 O75469 1/20 0.45
▸ AHR P35869 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.45
▸ SCN9A Q15858 5/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PIN1 Q13526 3/20 0.43
▸ TTBK1 Q5TCY1 1/20 0.43
▸ TTBK2 Q6IQ55 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ BCL6 P41182 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ KCNH2 Q12809 4/20 0.41
▸ SCN5A Q14524 3/20 0.41
▸ EGFR P00533 1/20 0.41

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
SCHEMBL15146279 0.87 AURKA (0.47) KDRSCN9AMEN1KMT2APIN1
SCHEMBL2411693 0.87 AURKA (0.53) KDRMEN1KMT2APIN1TTBK1
SCHEMBL16012862 0.87 MEN1 (0.48) NR1I2AHRMKNK1MEN1KMT2A
SCHEMBL16264851 0.87 MEN1 (0.45) NR1I2AHRMEN1KMT2APIN1
SCHEMBL16012244 0.87 CCNT1 (0.43) ADORA3SLC6A2PDE4AKDRNR1I2
SCHEMBL24654519 0.86 PIN1 (0.57) KDRMEN1KMT2APIN1GAA
SCHEMBL15147773 0.83 MAPT (0.53) MEN1KMT2ATTBK1TTBK2GAA
SCHEMBL16022207 0.81 EGFR (0.50) KDRPIN1EGFR
SCHEMBL14764555 0.79 CTSC (0.54) SCN9ATTBK1TTBK2KCNH2SCN5A
SCHEMBL655628 0.79 AURKA (0.54) KDRKMT2ABCL6STK17A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005061505-A1 BICYCLIC IMIDAZOLYL PYRIMIDIN-4-ONE CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2005-07-07 — — WO disclosed
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