SCHEMBL3361858

SCHEMBL3361858

CN1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4c3C(=O)[N]C=C4)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.47
SYK P43405 10/20 0.43
JAK2 O60674 2/20 0.41
ACVR1 Q04771 1/20 0.41
CSF1R P07333 4/20 0.39
CDK4 P11802 4/20 0.39
CDK6 Q00534 4/20 0.39
PIK3CD O00329 3/20 0.39
CCNK O75909 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
APP P05067 1/20 0.35

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
SCHEMBL3359250 0.91 ZAP70 (0.53) ZAP70SYKJAK2
SCHEMBL3359095 0.90 ZAP70 (0.45) ZAP70SYKJAK2ACVR1CCNA2
SCHEMBL3360818 0.89 SYK (0.42) ZAP70SYKJAK2ACVR1CSF1R
SCHEMBL1158187 0.88 SYK (0.40) ZAP70SYKJAK2CSF1RCDK4
SCHEMBL3362708 0.86 ZAP70 (0.49) ZAP70SYKCSF1RCDK4CDK6
SCHEMBL3362654 0.85 ZAP70 (0.39) ZAP70SYK
SCHEMBL3360152 0.83 ZAP70 (0.64) ZAP70SYK
SCHEMBL3359784 0.82 ZAP70 (0.51) ZAP70SYK
SCHEMBL3359512 0.82 ZAP70 (0.51) ZAP70SYK
SCHEMBL3361376 0.81 ZAP70 (0.42) 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 2 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