SCHEMBL7092071

SCHEMBL7092071

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

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.62
CHEK1 O14757 14/20 0.58
KDR P35968 3/20 0.52
PDGFRB P09619 1/20 0.50

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
SCHEMBL7001507 0.90 CHEK1 (0.59) PARP1CHEK1KDRPDGFRB
SCHEMBL7004389 0.88 CHEK1 (0.59) PARP1CHEK1KDRPDGFRB
SCHEMBL7698823 0.88 CHEK1 (0.60) PARP1CHEK1KDRPDGFRB
SCHEMBL7095260 0.88 CHEK1 (0.58) PARP1CHEK1KDR
SCHEMBL7698785 0.88 CHEK1 (0.60) PARP1CHEK1KDRPDGFRB
SCHEMBL7096556 0.87 CHEK1 (0.58) PARP1CHEK1KDRPDGFRB
SCHEMBL6996407 0.86 CHEK1 (0.59) CHEK1KDRPDGFRB
SCHEMBL7095532 0.86 CHEK1 (0.57) PARP1CHEK1KDRPDGFRB
SCHEMBL7002083 0.85 CHEK1 (0.55) CHEK1KDRPDGFRB
SCHEMBL7092742 0.85 CHEK1 (0.58) PARP1CHEK1KDRPDGFRB

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