SCHEMBL3359502

SCHEMBL3359502

COc1cncc(-c2cc3c(c(Nc4ccc(OCCN5CCOCC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.43
SYK P43405 4/20 0.41
JAK2 O60674 1/20 0.41
EGFR P00533 2/20 0.39
SRC P12931 2/20 0.39
CDK1 P06493 1/20 0.39
KDR P35968 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
RAF1 P04049 1/20 0.38
MAP2K1 Q02750 1/20 0.38
AURKA O14965 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL3361210 0.90 SRC (0.42) SYKJAK2EGFRSRCKDR
SCHEMBL3359957 0.88 SYK (0.43) ZAP70SYKJAK2EGFRSRC
SCHEMBL3359360 0.84 SYK (0.40) SYKJAK2EGFRSRCCDK1
SCHEMBL3362294 0.83 BCHE (0.45) SYKJAK2EGFRSRCCDK1
SCHEMBL3359856 0.81 ZAP70 (0.40) ZAP70SYK
SCHEMBL1049849 0.80 ZAP70 (0.68) ZAP70SYKJAK2
SCHEMBL3359058 0.78 ZAP70 (0.42) ZAP70SYKJAK2EGFR
SCHEMBL3362887 0.77 ZAP70 (0.46) ZAP70SYKJAK2EGFRKDR
SCHEMBL3358947 0.77 CYP2C19 (0.40) ZAP70SYKJAK2EGFRKDR
SCHEMBL3359028 0.77 ZAP70 (0.41) ZAP70SYKJAK2EGFR

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