SCHEMBL3360818

SCHEMBL3360818

COc1ncc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)c(F)c4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.42
JAK2 O60674 2/20 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 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ACVR1 Q04771 1/20 0.38
ZAP70 P43403 1/20 0.36
MAP4K1 Q92918 1/20 0.36
BCL6 P41182 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 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
SCHEMBL3361858 0.89 ZAP70 (0.47) SYKJAK2CSF1RCDK4CDK6
SCHEMBL3357921 0.88 ZAP70 (0.47) ZAP70MAP4K1PIK3CAMTOR
SCHEMBL3363341 0.87 SYK (0.41) SYKCSF1RCDK4CDK6CCNK
SCHEMBL3360946 0.84 ZAP70 (0.51) SYKZAP70PIK3CAMTOR
SCHEMBL3361273 0.81 SYK (0.43) SYKJAK2ZAP70
SCHEMBL3356910 0.81 MTOR (0.42) SYKJAK2CSF1RCDK4CDK6
SCHEMBL3359250 0.80 ZAP70 (0.53) SYKJAK2ZAP70
SCHEMBL3362516 0.80 ZAP70 (0.47) SYKCSF1RCDK4CDK6PIK3CD
SCHEMBL3362467 0.80 ZAP70 (0.49) ZAP70MAP4K1PIK3CA
SCHEMBL3362632 0.79 ZAP70 (0.45) SYKJAK2ZAP70MAP4K1MTOR

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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed