SCHEMBL3358758

SCHEMBL3358758

Cc1cc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)ncc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.44
CD63 P08962 2/20 0.44
ZAP70 P43403 3/20 0.42
AURKA O14965 2/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PKMYT1 Q99640 1/20 0.39
IGF1R P08069 3/20 0.39
TSHR P16473 1/20 0.39
NR4A1 P22736 1/20 0.39
JAK2 O60674 3/20 0.39
JAK3 P52333 1/20 0.39
CCND3 P30281 2/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 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 0.87 SYK (0.44) SYKCD63ZAP70AURKAMAPT
SCHEMBL3358598 0.87 SYK (0.43) SYKCD63ZAP70AURKAMAPT
SCHEMBL3358312 0.86 MAPT (0.46) SYKCD63ZAP70AURKAMAPT
SCHEMBL3359692 0.85 PIK3CA (0.45) SYKCD63ZAP70AURKAMAPT
SCHEMBL3359647 0.84 MAPT (0.43) SYKCD63ZAP70AURKAMAPT
SCHEMBL3360279 0.83 ABL1 (0.41) SYKCD63ZAP70AURKAMAPT
SCHEMBL3362709 0.82 SYK (0.45) SYKCD63ZAP70AURKAMAPT
SCHEMBL3358947 0.81 CYP2C19 (0.40) SYKZAP70AURKAMAPTTP53
SCHEMBL3361347 0.81 ZAP70 (0.42) SYKCD63ZAP70AURKAMAPT
SCHEMBL3362714 0.81 ABL1 (0.45) SYKCD63ZAP70AURKAMAPT

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