SCHEMBL30006808

SCHEMBL30006808

Clc1cc2cc(Br)ccc2nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.46
BACE1 P56817 2/20 0.42
HTT P42858 2/20 0.42
NT5E P21589 1/20 0.40
CYP2A6 P11509 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPM1 P06748 1/20 0.37
ALK Q9UM73 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL23648180 1.00 PABPC1 (0.46) PABPC1BACE1HTTNT5ECYP2A6
SCHEMBL20600548 0.83 PABPC1 (0.46) PABPC1BACE1HTTNT5ECYP2A6
SCHEMBL26684871 0.75 PABPC1 (0.46) PABPC1BACE1HTTCYP2A6CYP1A2
SCHEMBL23535737 0.75 PABPC1 (0.46) PABPC1BACE1HTTCYP2A6CYP1A2
SCHEMBL789486 0.72 BACE1 (0.64) PABPC1BACE1HTTNT5ECYP2A6
SCHEMBL4347785 0.72 BACE1 (0.58) PABPC1BACE1HTTNT5ECYP2A6
SCHEMBL29768297 0.72 BACE1 (0.58) PABPC1BACE1HTTNT5ECYP2A6
SCHEMBL2781561 0.71 KDM4E (0.50) CYP1A2KDM4EALDH1A1KMT2ALMNA
SCHEMBL11120969 0.71 PABPC1 (0.60) PABPC1BACE1HTTNT5ECYP1A2
SCHEMBL30259059 0.71 PABPC1 (0.60) PABPC1BACE1HTTNT5ECYP1A2

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
EP-4076449-A1 PYRIDAZINE AND 1,2,4-TRIAZINE DERIVATIVES AS FGFR KINASE INHIBITORS Beta Pharma, Inc. (US) 2022-10-26 EP disclosed