SCHEMBL7090397

SCHEMBL7090397

CCOC(=O)CCCOc1cccc(-c2n[nH]c3c2Cc2ccccc2-3)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.50
FAAH O00519 2/20 0.49
CHEK1 O14757 2/20 0.46
KIT P10721 2/20 0.45
FLT1 P17948 2/20 0.45
LCK P06239 1/20 0.45
CSF1R P07333 1/20 0.45
FLT3 P36888 1/20 0.45
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
CYSLTR2 Q9NS75 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
P2RY12 Q9H244 1/20 0.45
BRD4 O60885 1/20 0.45
PDK2 Q15119 1/20 0.43
PDGFRB P09619 1/20 0.41

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
SCHEMBL7093643 0.92 KDR (0.53) KDRCHEK1KITFLT1LCK
SCHEMBL7090918 0.88 KDR (0.58) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL6995193 0.88 KDR (0.55) KDRCHEK1LCKCSF1RFLT3
SCHEMBL7002255 0.84 KDR (0.61) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL7000821 0.82 KDR (0.62) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL7703314 0.82 KDR (0.53) KDRCHEK1FLT3CDK1CDK2
SCHEMBL7700936 0.82 KDR (0.55) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL7088696 0.81 KDR (0.57) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL7701562 0.81 KDR (0.44) KDRCHEK1LCKCSF1RFLT3
SCHEMBL7702681 0.81 KDR (0.52) KDRCHEK1CDK1CDK2PDGFRB

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