SCHEMBL7740555

SCHEMBL7740555

CCNc1ncn(C(=O)c2ccncc2)c2nc(C(C)C)nc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ENPP3 O14638 2/20 0.32
ALPL P05186 2/20 0.32
XIAP P98170 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NAMPT P43490 1/20 0.32
HTT P42858 1/20 0.31
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PTGS2 P35354 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL1388094 0.76 YTHDC1 (0.40) FLT1KDRALDH1A1KDM4EHDAC3
Hydrochloric Acid SCHEMBL7031630 0.76 YTHDC1 (0.39) FLT1KDRALDH1A1KDM4EHDAC3
SCHEMBL1387987 0.72 SRC (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL8000436 0.68 TLR7 (0.38) ALDH1A1KDM4EHTTMAPTKMT2A
SCHEMBL1387909 0.68 KCNH2 (0.39) CYP3A4HTTHDAC3HDAC1HDAC2
SCHEMBL1388327 0.67 MAPK13 (0.34)
SCHEMBL7686266 0.67 SYK (0.30)
SCHEMBL7372968 0.67 ALDH1A1 (0.38) CYP3A4ALDH1A1KDM4EHDAC3HDAC1
Hydrochloric Acid SCHEMBL7028127 0.66 MAPK13 (0.33)
SCHEMBL7739685 0.66 PGK1 (0.38) FLT1KDRALDH1A1KDM4EHTT

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-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed
US-6319928-B1 ASTHMA, ALLERGIES, INFLAMMATION,DEPRESSION, DEMENTIA, ALZHEIMER'S DISEASE, VASCULAR AND MULTI-IN-FARCT DEMENTIA AND DISEASE CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS TREATMENT; EFFICIENCY AND SELECTIVITY EURO-CELTIQUE, S.A. (LU) 2001-11-20 US disclosed
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US disclosed