SCHEMBL1799494

SCHEMBL1799494

O=C(c1nc(-c2c[nH]c3ncc(C4=C=CC=C4)cc23)cs1)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 3/20 0.39
▸ MAP3K11 Q16584 4/20 0.38
▸ ATP4A P20648 2/20 0.37
▸ ATP4B P51164 2/20 0.37
▸ NTRK1 P04629 2/20 0.37
▸ HTR2C P28335 2/20 0.36
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL1801258 0.91 MAP3K11 (0.46) TNIKMAP3K11NTRK1
SCHEMBL1798276 0.91 NTRK1 (0.47) MAP3K11NTRK1HTR2CHPGDKIT
SCHEMBL1801625 0.85 AXL (0.40) TNIKNTRK1CDK5CCNT1CCNA2
SCHEMBL1799165 0.84 AXL (0.49) TNIKMAP3K11
SCHEMBL1799492 0.81 TNIK (0.40) TNIKMAP3K11ATP4AATP4BNTRK1
SCHEMBL1798655 0.81 CYP3A4 (0.44) TNIKMAP3K11ATP4AATP4BNTRK1
SCHEMBL1799160 0.78 HTR2C (0.38) TNIKMAP3K11ATP4AATP4BNTRK1
SCHEMBL4409012 0.78 MAP4K1 (0.53) TNIKMAP3K11
SCHEMBL3347662 0.77 ROCK1 (0.37) TNIKMAP3K11ATP4AATP4BHTR2C
SCHEMBL15500885 0.76 MAP3K11 (0.57) TNIKMAP3K11NTRK1CDK5CDK2

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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