SCHEMBL7704058

SCHEMBL7704058

CN1CCCC1CCOC(=O)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.54
CHEK1 O14757 2/20 0.53

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
SCHEMBL7822075 0.90 CHEK1 (0.44) CHRM3CHEK1
SCHEMBL7700703 0.81 CHEK1 (0.53) CHEK1
SCHEMBL7814577 0.81 CHEK1 (0.57) CHEK1
SCHEMBL7093375 0.79 CHEK1 (0.50) CHEK1
SCHEMBL7835370 0.79 CHEK1 (0.51) CHRM3CHEK1
SCHEMBL7165696 0.79 CHEK1 (0.49) CHEK1
SCHEMBL7701289 0.78 CHEK1 (0.48) CHEK1
SCHEMBL7698793 0.77 RAB9A (0.48) CHEK1
SCHEMBL7696212 0.77 CHEK1 (0.47) CHEK1
Acetic Acid SCHEMBL7701547 0.77 KDR (0.48) CHEK1

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
US-6462036-B1 INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM BASF AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed