SCHEMBL6167600

SCHEMBL6167600

CCCc1nn(-c2ccc(Cl)nn2)c2c1C(=O)CC(C)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CSNK2A2 P19784 3/20 0.34
CSNK2B P67870 3/20 0.34
CSNK2A1 P68400 3/20 0.34
ABCG2 Q9UNQ0 3/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.32
ALPL P05186 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL6167886 0.86 CCNA2 (0.39) CCNA2CDK2ALDH1A1LMNASMN1; SMN2
SCHEMBL6166364 0.86 CCNA2 (0.39) CCNA2CDK2ALDH1A1LMNASMN1; SMN2
SCHEMBL6166892 0.82 CCNA2 (0.53) CCNA2CDK2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL6166839 0.82 ALDH1A1 (0.50) CCNA2CDK2ALDH1A1LMNASMN1; SMN2
SCHEMBL6163506 0.81 CCNA2 (0.35) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6165095 0.80 ALDH1A1 (0.58) CCNA2CDK2ALDH1A1LMNAKMT2A
SCHEMBL6168412 0.80 CCNA2 (0.40) CCNA2CDK2ALDH1A1LMNASMN1; SMN2
SCHEMBL6162980 0.80 CCNA2 (0.40) CCNA2CDK2ALDH1A1LMNASMN1; SMN2
SCHEMBL6164825 0.80 CCNA2 (0.40) CCNA2CDK2ALDH1A1LMNASMN1; SMN2
SCHEMBL6165013 0.79 CCNA2 (0.46) CCNA2CDK2ALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP disclosed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO disclosed