SCHEMBL7855544

SCHEMBL7855544

CC(=O)Nc1ccc2c(c1)Cc1c(-c3ccc(C(=O)O)c(C)c3)n[nH]c1-2

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.54

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
SCHEMBL6996407 0.84 CHEK1 (0.59) CHEK1
SCHEMBL6992572 0.82 CHEK1 (0.60) CHEK1
SCHEMBL7000769 0.76 CHEK1 (0.64) CHEK1
Hydrochloric Acid SCHEMBL7089690 0.75 CHEK1 (0.62) CHEK1
SCHEMBL7092402 0.73 KMT2A (0.55) CHEK1
SCHEMBL6992949 0.73 KDR (0.54) CHEK1
SCHEMBL7092465 0.73 KDR (0.56) CHEK1
SCHEMBL4816267 0.72 CHEK1 (0.71) CHEK1
SCHEMBL7698778 0.72 KDR (0.52) CHEK1
SCHEMBL7092071 0.72 PARP1 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed