SCHEMBL3358598

SCHEMBL3358598

Cc1nc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.43
CD63 P08962 2/20 0.43
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
ZAP70 P43403 5/20 0.40
JAK2 O60674 3/20 0.39
AURKA O14965 2/20 0.38
PLK4 O00444 2/20 0.38
CDC7 O00311 1/20 0.38
CIT O14578 1/20 0.38
CHEK1 O14757 1/20 0.38
GAK O14976 1/20 0.38
EPHB6 O15197 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
RIPK2 O43353 1/20 0.38
BUB1 O43683 1/20 0.38
CCNT1 O60563 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL3362540 0.88 SYK (0.44) SYKCD63MAPTTP53MAPK1
SCHEMBL3358758 0.87 SYK (0.44) SYKCD63MAPTTP53MAPK1
SCHEMBL3358312 0.87 MAPT (0.46) SYKCD63MAPTTP53MAPK1
SCHEMBL3359692 0.84 PIK3CA (0.45) SYKCD63MAPTTP53MAPK1
SCHEMBL3359647 0.83 MAPT (0.43) SYKCD63MAPTTP53MAPK1
SCHEMBL3362463 0.83 ZAP70 (0.49) SYKMAPTTP53MAPK1ZAP70
SCHEMBL3358985 0.82 ZAP70 (0.43) MAPTTP53MAPK1ZAP70JAK2
SCHEMBL3362295 0.81 ZAP70 (0.41) ZAP70INSRKITTTKKDR
SCHEMBL3360279 0.81 ABL1 (0.41) SYKCD63MAPTMAPK1ZAP70
SCHEMBL3358328 0.80 ZAP70 (0.42) MAPTTP53MAPK1ZAP70AURKA

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