SCHEMBL8167221

SCHEMBL8167221

c1nc2[nH]cc(-c3csc(N4CCCC4)n3)c2cc1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 3/20 0.39
▸ MAPK8 P45983 2/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ AR P10275 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ CCNT1 O60563 2/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ BAZ2A Q9UIF9 1/20 0.36
▸ MAPK1 P28482 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 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
SCHEMBL1798650 0.84 MAPK8 (0.62) MAPK9MAPK8MAPK10ARCDK2
SCHEMBL1798645 0.84 MAPK8 (0.62) MAPK9MAPK8MAPK10ARCDK2
SCHEMBL1799003 0.83 MAPK9 (0.40) MAPK9MAPK8MAPK10SMN1; SMN2RAB9A
SCHEMBL1799160 0.81 HTR2C (0.38) MAPK9MAPK8MAPK10NTRK1CDK5
SCHEMBL1796697 0.81 IL2 (0.44) MAPK9MAPK8MAPK10SMN1; SMN2CDK2
SCHEMBL1801749 0.80 IL2 (0.39) MAPK9MAPK8MAPK10CDK2CCNT1
SCHEMBL8168358 0.79 MAPK8 (0.41) MAPK9MAPK8MAPK10KDRROCK1
SCHEMBL1796713 0.79 CAMKK2 (0.43) MAPK9MAPK8MAPK10SMN1; SMN2KMT2A
SCHEMBL1797816 0.78 MEN1 (0.39) MAPK9MAPK8MAPK10CDK2MAPK1
SCHEMBL15500796 0.78 AXL (0.55) SMN1; SMN2ARTP53HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 — — WO disclosed
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