SCHEMBL7090322

SCHEMBL7090322

COc1ccc(-c2n[nH]c3c2/C(=N/O)c2ccccc2-3)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
CDK4 P11802 5/20 0.47
CCND1 P24385 5/20 0.47
CCNE2 O96020 4/20 0.47
CCNE1 P24864 4/20 0.47
CDK2 P24941 4/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
ALOX12 P18054 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 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
SCHEMBL7090323 1.00 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCDK4
SCHEMBL7140772 0.81 CDK4 (0.70) PDE4APDE4BPDE4CPDE4DCDK4
SCHEMBL7092319 0.80 CDK4 (0.48) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7092321 0.80 CDK4 (0.48) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7093703 0.79 CCNE2 (0.45) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7093702 0.79 CCNE2 (0.45) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7143868 0.74 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL11861280 0.71 PDGFRB (0.66) CDK2PDGFRB
SCHEMBL4024853 0.70 CCNE2 (0.76) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7147568 0.69 CDK4 (0.67) CDK4CCND1CCNE2CCNE1CDK2

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