SCHEMBL8154563

SCHEMBL8154563

COc1ccccc1-c1ccncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CDK9 P50750 1/20 0.52
CCNA1 P78396 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
CYP1A2 P05177 9/20 0.52
HSD17B10 Q99714 8/20 0.52
ALDH1A1 P00352 8/20 0.52
CYP2C19 P33261 8/20 0.52
CYP3A4 P08684 7/20 0.52
CYP2D6 P10635 7/20 0.52
CLK4 Q9HAZ1 5/20 0.52
LMNA P02545 5/20 0.52
TSHR P16473 3/20 0.52
TDP1 Q9NUW8 2/20 0.50
CYP19A1 P11511 1/20 0.48
METAP2 P50579 1/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL30141974 1.00 CCNT1 (0.52) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL30831604 1.00 CCNT1 (0.52) CCNT1CCNA2CDK2CDK9CCNA1
Ammonia Solution, Strong SCHEMBL1121071 0.98 CCNT1 (0.51) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL28135263 0.93 CYP1A2 (0.51) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL27534760 0.85 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL1445133 0.82 CCNT1 (0.60) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL10601314 0.80 MAPK9 (0.43) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL2039527 0.79 SMN1; SMN2 (0.62) CYP1A2HSD17B10ALDH1A1CYP2C19CYP3A4
SCHEMBL29496935 0.79 SMN1; SMN2 (0.62) CYP1A2HSD17B10ALDH1A1CYP2C19CYP3A4
SCHEMBL1880930 0.78 MAPK14 (0.56) CCNT1CCNA2CDK2CDK9CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114158-A1 IMIDE-CONTAINING POLYOLS, METHOD FOR MAKING IMIDE-CONTAINING POLYOLS AND METHOD FOR USING THE IMIDE POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2023-06-22 WO disclosed
CN-109734708-A Pyrimidine indoles Nur77 receptor modulators and its preparation method and application 厦门大学 2019-05-10 CN disclosed
WO-2014074661-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHα RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed
US-3950525-A BRONCHODILATION, 4-HYDROXY-6-ARYL PYRIMIDINES PFIZER INC. (US) 1976-04-13 US disclosed