SCHEMBL7704854

SCHEMBL7704854

CCOP(=O)(Cc1ccc(NC=C2C(=O)N(CC)c3ncccc32)cc1)OCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
MAPT P10636 5/20 0.38
APP P05067 4/20 0.38
SNCA P37840 4/20 0.38
PTK2 Q05397 2/20 0.37
NPY5R Q15761 1/20 0.37
KMT2A Q03164 1/20 0.34
BTK Q06187 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5873841 0.79 CCNT1 (0.41) CCNT1CDK9MAPTAPPSNCA
SCHEMBL5873837 0.79 CCNT1 (0.41) CCNT1CDK9MAPTAPPSNCA
SCHEMBL5873933 0.75 CCNT1 (0.39) CCNT1CDK9MAPTPTK2NPY5R
SCHEMBL5873934 0.75 CCNT1 (0.39) CCNT1CDK9MAPTPTK2NPY5R
SCHEMBL7661382 0.72 TRPV1 (0.44) MAPTKMT2AALDH1A1KDM4EHTT
SCHEMBL6880694 0.72 MAPT (0.34) CDK9MAPTAPPSNCAPTK2
SCHEMBL7699449 0.71 RXFP1 (0.40) MAPTAPPSNCAALDH1A1TP53
SCHEMBL5873716 0.69 NTRK1 (0.40) CCNT1CDK9PTK2NPY5RBTK
SCHEMBL5873720 0.69 NTRK1 (0.40) CCNT1CDK9PTK2NPY5RBTK
SCHEMBL6872584 0.69 CDK9 (0.40) CCNT1CDK9PTK2NPY5RBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US disclosed