SCHEMBL7147568

SCHEMBL7147568

COc1cc(-c2n[nH]c3c2C(=O)c2ccccc2-3)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.67
CCND1 P24385 8/20 0.67
CDK2 P24941 6/20 0.67
CCNE2 O96020 5/20 0.67
CCNE1 P24864 5/20 0.67
PDGFRB P09619 4/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHEK1 O14757 1/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
DUSP3 P51452 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7140772 0.87 CDK4 (0.70) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7090159 0.77 CDK4 (0.71) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL28971734 0.74 USP2 (0.53) PDGFRBMEN1ALDH1A1MAPTKMT2A
SCHEMBL29895357 0.74 USP2 (0.53) PDGFRBMEN1ALDH1A1MAPTKMT2A
SCHEMBL7148608 0.74 CDK4 (0.66) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7091188 0.73 CCNE2 (0.69) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7091145 0.73 KDR (0.63) CDK2PDGFRBCHEK1
SCHEMBL7145484 0.72 CDK4 (0.68) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4816704 0.72 CDK4 (0.68) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7146443 0.72 CDK4 (0.68) CDK4CCND1CDK2CCNE2CCNE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534655-B1 Administering as anti-angiogenic compounds or to inhibit vascular hyperpermeability BASF AKTIENGESELLSCHAFT (DE) 2003-03-18 US disclosed
EP-1021182-A1 INDENO[1,2-C] PYRAZOLE DERIVATIVES FOR INHIBITING TYROSINE KINASE ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 2000-07-26 EP disclosed
WO-1999017770-A1 INDENO[1,2-C]PYRAZOLE DERIVATIVES FOR INHIBITING TYROSINE KINASE ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 1999-04-15 WO disclosed