SCHEMBL5776340

SCHEMBL5776340

Clc1ccnc2cc(-c3ccccc3)[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.61
KDM4C Q9H3R0 2/20 0.61
KDM5B Q9UGL1 2/20 0.61
KDM4A O75164 1/20 0.61
CCNB2 O95067 3/20 0.56
CDK1 P06493 3/20 0.56
CCNB1 P14635 3/20 0.56
CCNB3 Q8WWL7 3/20 0.56
CDK5 Q00535 2/20 0.56
CDK5R1 Q15078 2/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
CYP19A1 P11511 3/20 0.51
NPY5R Q15761 7/20 0.46
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL30362094 1.00 KDM5A (0.61) KDM5AKDM4CKDM5BKDM4ACCNB2
SCHEMBL3567059 0.77 NPY5R (0.56) KDM5AKDM4CKDM5BKDM4ACCNB2
SCHEMBL16149258 0.76 KDM5A (1.00) KDM5AKDM4CKDM5BKDM4A
SCHEMBL5775164 0.74 NPY5R (0.58) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL31240593 0.73 CDC7 (0.59) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL16041244 0.73 CDC7 (0.59) CCNB2CDK1CCNB1CCNB3CDK5
Hydrochloric Acid SCHEMBL5776488 0.72 NPY5R (0.54) KDM5AKDM4CKDM5BKDM4ACCNB2
SCHEMBL5771574 0.72 NPY5R (0.65) KDM5AKDM4CKDM5BKDM4ANPY5R
SCHEMBL490933 0.72 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL29912855 0.72 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed