SCHEMBL29968331

SCHEMBL29968331

O=C(O)c1ccncc1CNc1n[nH]c2cccc(-c3ccc(C4=CCCCC4)cc3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 8/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ ACMSD Q8TDX5 1/20 0.36
▸ AGTR2 P50052 2/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ KDM6B O15054 5/20 0.35
▸ SERPINE1 P05121 1/20 0.35
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM4D Q6B0I6 1/20 0.34
▸ KIT P10721 3/20 0.34
▸ FLT3 P36888 3/20 0.34
▸ CSF1R P07333 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ ROCK2 O75116 1/20 0.34

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
SCHEMBL29967914 0.90 AGTR2 (0.40) ACMSDAGTR2AGTR1SERPINE1MAPK9
SCHEMBL29968241 0.84 ACMSD (0.36) ACMSDAGTR2AGTR1SERPINE1MAPK9
SCHEMBL29967707 0.84 MAPK10 (0.43) AGTR2MAPK9MAPK10KITFLT3
SCHEMBL29967968 0.83 MAPK10 (0.44) SERPINE1MAPK9MAPK10KITFLT3
SCHEMBL29968332 0.83 ACMSD (0.38) ACMSDAGTR2SERPINE1MAPK9MAPK10
SCHEMBL29967996 0.82 ABL1 (0.38) MAPK9MAPK10KITFLT3CSF1R
SCHEMBL29967841 0.81 KDR (0.40) ACMSDKITFLT3CSF1RKDR
SCHEMBL29967591 0.81 MAPK8 (0.41) MAPK9MAPK10KITFLT3CSF1R
SCHEMBL31029250 0.81 DHODH (0.39) ACMSDAGTR2MAPK9MAPK10FLT3
SCHEMBL29967878 0.80 MAPK10 (0.45) MAPK9MAPK10KITFLT3CSF1R

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
CN-115260165-B Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2024-08-06 — — CN disclosed
CN-115260165-A Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2022-11-01 — — CN disclosed
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