SCHEMBL3359692

SCHEMBL3359692

Cc1nc(N)ncc1-c1cc2c(c(Nc3ccc(N4CCOCC4)cc3)n1)C(=O)[N]C=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.45
SYK P43405 4/20 0.43
CD63 P08962 2/20 0.43
ZAP70 P43403 4/20 0.43
NRP1 O14786 1/20 0.42
PIK3R1 P27986 2/20 0.41
MTOR P42345 2/20 0.41
AURKA O14965 2/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
LCK P06239 2/20 0.39
KIT P10721 2/20 0.39
SRC P12931 2/20 0.39
KDR P35968 2/20 0.39
JAK2 O60674 2/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
CIT O14578 1/20 0.39
CHEK1 O14757 1/20 0.39

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 0.86 SYK (0.44) SYKCD63ZAP70AURKAMAPT
SCHEMBL3358758 0.85 SYK (0.44) SYKCD63ZAP70AURKAMAPT
SCHEMBL3358312 0.84 MAPT (0.46) PIK3CASYKCD63ZAP70AURKA
SCHEMBL3358598 0.84 SYK (0.43) SYKCD63ZAP70AURKAMAPT
SCHEMBL3362709 0.81 SYK (0.45) PIK3CASYKCD63ZAP70AURKA
SCHEMBL3359647 0.81 MAPT (0.43) SYKCD63ZAP70AURKAMAPT
SCHEMBL3360279 0.80 ABL1 (0.41) PIK3CASYKCD63ZAP70AURKA
SCHEMBL3358704 0.80 PIK3CA (0.44) PIK3CASYKCD63ZAP70PIK3R1
SCHEMBL3361347 0.80 ZAP70 (0.42) SYKCD63ZAP70MTORAURKA
SCHEMBL3362714 0.80 ABL1 (0.45) PIK3CASYKCD63ZAP70MTOR

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