SCHEMBL8068675

SCHEMBL8068675

Cc1cccc2nc(C(F)(F)F)nc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.48
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
USP2 O75604 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP1 P09874 1/20 0.39
XPO1 O14980 2/20 0.39
GAA P10253 2/20 0.39
CCNE2 O96020 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
TLR7 Q9NYK1 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL14606570 0.83 ELANE (0.50) ELANEPOLBMEN1APAF1USP2
SCHEMBL8070561 0.80 ELANE (0.48) ELANEPOLBMEN1APAF1USP2
SCHEMBL8073672 0.80 ELANE (0.51) ELANEPOLBMEN1APAF1USP2
SCHEMBL9268529 0.77 TDP1 (0.48) ELANEPOLBMEN1KMT2APARP1
SCHEMBL29777989 0.77 ELANE (0.44) ELANEPARP1ALDH1A1KDM4E
SCHEMBL1997280 0.77 ELANE (0.44) ELANEPARP1ALDH1A1KDM4E
SCHEMBL1502695 0.76 KCNA5 (0.53) POLBMEN1APAF1USP2BLM
SCHEMBL29029750 0.75 ELANE (0.49) ELANEKMT2APARP1TLR7LMNA
SCHEMBL29011230 0.73 ELANE (0.42) ELANEPOLBMEN1APAF1USP2
SCHEMBL3119156 0.72 GAA (0.57) GAACCNE2CCNE1CDK2CDK4

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-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
WO-1999001441-A1 QUINAZOLINE ANALOGS AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1999-01-14 WO disclosed