SCHEMBL3358312

SCHEMBL3358312

Cc1cc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)nc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
IGF1R P08069 2/20 0.41
ZAP70 P43403 5/20 0.41
SYK P43405 3/20 0.40
CD63 P08962 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
AURKA O14965 2/20 0.38
JAK2 O60674 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RGS12 O14924 1/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CIT O14578 1/20 0.37

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
SCHEMBL3358598 0.87 SYK (0.43) MAPTMAPK1TP53IGF1RZAP70
SCHEMBL3358758 0.86 SYK (0.44) MAPTMAPK1TP53IGF1RZAP70
SCHEMBL3359647 0.86 MAPT (0.43) MAPTMAPK1TP53IGF1RZAP70
SCHEMBL3362540 0.85 SYK (0.44) MAPTMAPK1TP53ZAP70SYK
SCHEMBL3359692 0.84 PIK3CA (0.45) MAPTMAPK1TP53ZAP70SYK
SCHEMBL3362463 0.82 ZAP70 (0.49) MAPTMAPK1TP53ZAP70SYK
SCHEMBL3360279 0.81 ABL1 (0.41) MAPTMAPK1ZAP70SYKCD63
SCHEMBL3358985 0.81 ZAP70 (0.43) MAPTMAPK1TP53IGF1RZAP70
SCHEMBL3358947 0.81 CYP2C19 (0.40) MAPTMAPK1TP53ZAP70SYK
SCHEMBL3362709 0.80 SYK (0.45) MAPTMAPK1TP53IGF1RZAP70

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