SCHEMBL3363341

SCHEMBL3363341

COc1ncc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)nc4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.41
ZAP70 P43403 1/20 0.38
PIK3CA P42336 2/20 0.37
MTOR P42345 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
WNT3A P56704 1/20 0.35
FLT4 P35916 4/20 0.33
MAP4K1 Q92918 3/20 0.33
STK17A Q9UEE5 1/20 0.33
KDR P35968 1/20 0.32

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
SCHEMBL3357921 0.91 ZAP70 (0.47) ZAP70PIK3CAMTORMAP4K1
SCHEMBL3362708 0.89 ZAP70 (0.49) SYKZAP70CSF1RCCNKCDK4
SCHEMBL3360818 0.87 SYK (0.42) SYKZAP70PIK3CAMTORCSF1R
SCHEMBL3362632 0.82 ZAP70 (0.45) SYKZAP70MTORMAP4K1
SCHEMBL3363030 0.82 ZAP70 (0.39) SYKZAP70
SCHEMBL3362296 0.81 ZAP70 (0.49) ZAP70MAP4K1
SCHEMBL3363125 0.81 ZAP70 (0.49) ZAP70MAP4K1
SCHEMBL3362467 0.81 ZAP70 (0.49) ZAP70PIK3CAMAP4K1
SCHEMBL3360946 0.80 ZAP70 (0.51) SYKZAP70PIK3CAMTOR
SCHEMBL3358521 0.80 ZAP70 (0.40) ZAP70MAP4K1KDR

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