SCHEMBL3361973

SCHEMBL3361973

COc1cncc(-c2cc3c(c(Nc4ccc(N5CCO[C@H](C)C5)c(C)c4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.47
TNK2 Q07912 6/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
SYK P43405 6/20 0.32
P2RX3 P56373 1/20 0.31
CD63 P08962 1/20 0.31
MAPT P10636 1/20 0.30
GSK3A P49840 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL3359176 0.89 ZAP70 (0.54) ZAP70TNK2JAK2JAK1TYK2
SCHEMBL3362713 0.86 ZAP70 (0.56) ZAP70TNK2JAK2JAK1TYK2
SCHEMBL3359423 0.86 ZAP70 (0.55) ZAP70TNK2JAK2JAK1TYK2
SCHEMBL3359065 0.86 ZAP70 (0.55) ZAP70TNK2JAK2JAK1TYK2
SCHEMBL3360938 0.85 ZAP70 (0.49) ZAP70TNK2JAK2JAK1TYK2
SCHEMBL3360218 0.84 ZAP70 (0.48) ZAP70TNK2JAK2JAK1TYK2
SCHEMBL3359539 0.84 ZAP70 (0.65) ZAP70TNK2JAK2JAK1TYK2
SCHEMBL3358663 0.84 ZAP70 (0.57) ZAP70TNK2JAK2JAK1TYK2
SCHEMBL3358595 0.83 ZAP70 (0.38) ZAP70JAK3SYKP2RX3LRRK2
SCHEMBL3362594 0.83 ZAP70 (0.55) ZAP70TNK2JAK2JAK1TYK2

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