SCHEMBL3359647

SCHEMBL3359647

Cc1cncc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
ZAP70 P43403 5/20 0.43
AURKA O14965 5/20 0.42
BRAF P15056 1/20 0.40
SYK P43405 3/20 0.40
CD63 P08962 2/20 0.40
IGF1R P08069 3/20 0.39
TSHR P16473 1/20 0.38
NR4A1 P22736 1/20 0.38
AURKC Q9UQB9 1/20 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
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
CCNB3 Q8WWL7 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
SCHEMBL3358312 0.86 MAPT (0.46) MAPTTP53MAPK1ZAP70AURKA
SCHEMBL3362540 0.85 SYK (0.44) MAPTTP53MAPK1ZAP70AURKA
SCHEMBL3358758 0.84 SYK (0.44) MAPTTP53MAPK1ZAP70AURKA
SCHEMBL3358598 0.83 SYK (0.43) MAPTTP53MAPK1ZAP70AURKA
SCHEMBL3362709 0.82 SYK (0.45) MAPTTP53MAPK1ZAP70AURKA
SCHEMBL3362463 0.82 ZAP70 (0.49) MAPTTP53MAPK1ZAP70AURKA
SCHEMBL3360279 0.81 ABL1 (0.41) MAPTMAPK1ZAP70AURKASYK
SCHEMBL3358985 0.81 ZAP70 (0.43) MAPTTP53MAPK1ZAP70AURKA
SCHEMBL3359180 0.81 MAPT (0.50) MAPTMAPK1ZAP70AURKABRAF
SCHEMBL3359692 0.81 PIK3CA (0.45) 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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed