SCHEMBL8313445

SCHEMBL8313445

N#Cc1ccc(-c2cnc3[nH]cc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.53
▸ TNIK Q9UKE5 4/20 0.51
▸ AXL P30530 4/20 0.51
▸ CDK8 P49336 1/20 0.51
▸ SGK1 O00141 5/20 0.49
▸ ALK Q9UM73 2/20 0.49
▸ NTRK1 P04629 2/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ NEK1 Q96PY6 1/20 0.47
▸ CAMKK2 Q96RR4 1/20 0.46

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
SCHEMBL12829942 0.87 NTRK1 (0.56) KITTNIKAXLCDK8SGK1
SCHEMBL8320062 0.87 AXL (0.54) KITTNIKAXLCDK8SGK1
SCHEMBL8320397 0.84 KIT (0.57) KITTNIKAXLCDK8SGK1
SCHEMBL8320017 0.84 MAPK8 (0.57) KITTNIKAXLCDK8SGK1
SCHEMBL8314585 0.82 MAP3K11 (0.64) KITTNIKAXLCDK8SGK1
SCHEMBL8313449 0.81 MAP4K1 (0.58) TNIKAXLCDK8SGK1ALK
SCHEMBL8445000 0.80 ALK (0.46) KITTNIKAXLCDK8SGK1
SCHEMBL4402102 0.80 JAK2 (0.63) TNIKAXLCDK8SGK1ALK
SCHEMBL8445630 0.80 NTRK1 (0.48) KITTNIKAXLCDK8SGK1
SCHEMBL8488878 0.80 AXL (0.46) TNIKAXLCDK8SGK1ALK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295433-A2 JNK inhibitors Eisai R&D Management Co., Ltd. (JP) 2011-03-16 — — EP disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 — — US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 — — US disclosed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 — — WO disclosed
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