SCHEMBL7095532

SCHEMBL7095532

CC(C)(C)CCC(=O)Nc1ccc2c(c1)Cc1c(-c3ccccc3)n[nH]c1-2

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.57
KDR P35968 3/20 0.50
PDGFRB P09619 1/20 0.48
PARP1 P09874 2/20 0.46

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
SCHEMBL7698785 0.90 CHEK1 (0.60) CHEK1KDRPDGFRBPARP1
SCHEMBL7704178 0.88 CHEK1 (0.56) CHEK1KDR
SCHEMBL7698823 0.88 CHEK1 (0.60) CHEK1KDRPDGFRBPARP1
SCHEMBL7092742 0.87 CHEK1 (0.58) CHEK1KDRPDGFRBPARP1
SCHEMBL7092071 0.86 PARP1 (0.62) CHEK1KDRPDGFRBPARP1
SCHEMBL6992949 0.86 KDR (0.54) CHEK1KDRPDGFRB
SCHEMBL7096556 0.85 CHEK1 (0.58) CHEK1KDRPDGFRBPARP1
SCHEMBL6996407 0.84 CHEK1 (0.59) CHEK1KDRPDGFRB
SCHEMBL7001507 0.84 CHEK1 (0.59) CHEK1KDRPDGFRBPARP1
SCHEMBL6999588 0.84 KDR (0.54) CHEK1KDRPDGFRB

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 7 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
EP-1289525-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2003-03-12 EP disclosed
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
WO-2001087846-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-11-22 WO disclosed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed