SCHEMBL3362708

SCHEMBL3362708

CN1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4c3C(=O)[N]C=C4)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.49
SYK P43405 8/20 0.42
WNT3A P56704 1/20 0.37
CSF1R P07333 2/20 0.36
CCNK O75909 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
CDK6 Q00534 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
FLT4 P35916 5/20 0.34
KDR P35968 1/20 0.33
PDE10A Q9Y233 2/20 0.33

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
SCHEMBL3363341 0.89 SYK (0.41) ZAP70SYKWNT3ACSF1RCCNK
SCHEMBL3363030 0.89 ZAP70 (0.39) ZAP70SYKPDE10A
SCHEMBL3356474 0.87 ZAP70 (0.37) ZAP70SYKWNT3ACSF1RCDK4
SCHEMBL3359250 0.86 ZAP70 (0.53) ZAP70SYK
SCHEMBL3361858 0.86 ZAP70 (0.47) ZAP70SYKCSF1RCCNKCDK4
SCHEMBL3359095 0.85 ZAP70 (0.45) ZAP70SYKCCNA2CDK2KDR
SCHEMBL1159575 0.82 ZAP70 (0.49) ZAP70SYK
SCHEMBL3362296 0.82 ZAP70 (0.49) ZAP70
SCHEMBL3361376 0.81 ZAP70 (0.42) ZAP70
SCHEMBL3363125 0.81 ZAP70 (0.49) ZAP70

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-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed