SCHEMBL4424869

SCHEMBL4424869

CCc1ncc(COC)o1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
DAO P14920 1/20 0.30

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
SCHEMBL3265214 0.81
SCHEMBL2040301 0.75
SCHEMBL17309092 0.75
SCHEMBL19225378 0.72 FBP1 (0.35) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL14146107 0.71 CCNB2 (0.37) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL18359190 0.69 GAA (0.42) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL24524616 0.68 CCNB2 (0.38) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL11519618 0.67
SCHEMBL7880120 0.67
SCHEMBL18741273 0.67 SMN1; SMN2 (0.32) L3MBTL1LMNADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934311-B1 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES BAYER HEALTHCARE AG (DE) 2009-05-13 EP disclosed
WO-2007065010-A2 ANTI-ANGIOGENESIS COMPOUNDS HIF BIO, INC. (US) 2007-06-07 WO disclosed
US-6462068-B1 CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
US-6414009-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-6410740-B1 CYCLIZATION OF THE CORRESPONDING AMIDE BAYER AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-6387940-B1 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6166027-A Heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
CN-1241188-A Heterocyclylmethyl-substed pyrazol derivs. BAYER AG (DE) 2000-01-12 CN disclosed