SCHEMBL8070893

SCHEMBL8070893

CSc1ccc2nc(C(F)(F)F)nc(O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.45
CCNE2 O96020 10/20 0.45
CCNE1 P24864 10/20 0.45
CDK4 P11802 7/20 0.45
CCND1 P24385 7/20 0.45
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
DHODH Q02127 1/20 0.38
GAA P10253 2/20 0.36
ADORA2A P29274 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
TYMS P04818 1/20 0.35
LMNA P02545 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
DAPK3 O43293 1/20 0.34
DYRK3 O43781 1/20 0.34
MAP4K4 O95819 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL8073927 0.82 CDK2 (0.41) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL27248722 0.79 DHODH (0.42) CDK2DHODHGAATYMSLMNA
SCHEMBL30540330 0.78 CDK2 (0.57) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL9998169 0.78 CDK2 (0.57) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL4426259 0.76 CCNE2 (0.47) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL31283944 0.76 HPGD (0.51) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL12033744 0.72 CCNE2 (0.40) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL31202674 0.72 GAA (0.57) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL2709303 0.72 GAA (0.57) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL8810767 0.69 PDE5A (0.43) CDK2DHODHGAATYMSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150372-A IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES; BLOCKING INTRACELLULAR SIGNAL TRANSDUCTION AND ACTIVATION OF TRANSCRIPTION FACTORS; KINASE INHIBITORS; ANTIARTHRITIC, ISCHEMIC AGENTS, MULTIPLE SCLEROSIS, TRANSPLANT REJECTION SIGNAL PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-5939421-A TREATMENT OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, TRANSPLANT REJECTION; INHIBIT KINASE(S) THAT REGULATE ACTIVATION OF TRANSCRIPTION FACTORS TO PREVENT PRODUCTION OF INFLAMMATORY PROTEINS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-17 US disclosed