SCHEMBL3809560

SCHEMBL3809560

C(=C/c1n[nH]c(C2CC2)c1N1CCNCC1)\c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ CHRNB2 P17787 3/20 0.39
▸ CHRNA4 P43681 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ HPGDS O60760 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ JUN P05412 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL3712135 0.81 CLK2 (0.42) CLK2CLK3DYRK1ACHRNB2CHRNA4
SCHEMBL3712134 0.81 CLK2 (0.42) CLK2CLK3DYRK1ACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3732874 0.80 CLK2 (0.42) CLK2CLK3DYRK1ACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3732878 0.80 CLK2 (0.42) CLK2CLK3DYRK1ACHRNB2CHRNA4
SCHEMBL1631738 0.64 CHRNB2 (0.47) CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4
SCHEMBL29691639 0.63 CYP11B1 (0.86) CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4
SCHEMBL29691623 0.63 CYP11B1 (0.86) CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4
SCHEMBL3801386 0.63 PDE10A (0.35) ALDH1A1KDM4E
SCHEMBL11470273 0.63 RAB9A (0.62) NPC1RAB9AKDM4EJUNMAPT
SCHEMBL11470275 0.63 RAB9A (0.62) NPC1RAB9AKDM4EJUNMAPT

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-2242757-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 — — EP disclosed
WO-2009089359-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 — — WO disclosed
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