SCHEMBL1798276

SCHEMBL1798276

O=C(c1nc(-c2c[nH]c3ncc(C4=C=CC=C4)cc23)cs1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.47
▸ HTR2C P28335 2/20 0.46
▸ KIT P10721 1/20 0.42
▸ PLK4 O00444 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ ROS1 P08922 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CSNK1G2 P78368 1/20 0.39
▸ MAP4K2 Q12851 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ NTRK3 Q16288 1/20 0.39
▸ MINK1 Q8N4C8 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39

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
SCHEMBL1799494 0.91 TNIK (0.39) NTRK1HTR2CKITMAP3K11HPGD
SCHEMBL1801258 0.90 MAP3K11 (0.46) NTRK1ROCK1MAP3K11WDR5
SCHEMBL1801878 0.84 HTR2C (0.56) NTRK1HTR2CKITPLK4JAK2
SCHEMBL1801625 0.84 AXL (0.40) NTRK1PLK4ROS1FGFR1FLT1
SCHEMBL1797469 0.82 HTR2C (0.53) NTRK1HTR2CKITPLK4JAK2
SCHEMBL1798275 0.81 NTRK1 (0.47) NTRK1HTR2CKITPLK4JAK2
SCHEMBL1799017 0.80 NTRK1 (0.44) NTRK1HTR2CKITPLK4JAK2
SCHEMBL1802608 0.78 NTRK1 (0.45) NTRK1HTR2CKITPLK4JAK2
SCHEMBL1801875 0.78 HTR2C (0.48) NTRK1HTR2CKITPLK4JAK2
SCHEMBL8442699 0.78 HTR2C (0.48) NTRK1HTR2CKITPLK4JAK2

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
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 — — US disclosed
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