SCHEMBL29721999

SCHEMBL29721999

COc1cncc2[nH]c(C(N)=O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.43
▸ CLK1 P49759 2/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ DYRK1A Q13627 2/20 0.43
▸ CDK5R1 Q15078 2/20 0.43
▸ RHEB Q15382 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ FLT3 P36888 2/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CCNC P24863 2/20 0.38
▸ CDK8 P49336 2/20 0.38
▸ ICAM1 P05362 1/20 0.38
▸ SELE P16581 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL23148104 0.86 KDM4E (0.53) IDO1RHEBFLT3NPC1POLB
SCHEMBL29540084 0.77 IDO1 (0.54) IDO1CLK1CDK5DYRK1ACDK5R1
SCHEMBL29394458 0.77 FLT3 (0.66) IDO1RHEBFLT3NPC1POLB
SCHEMBL24447653 0.77 FLT3 (0.66) IDO1RHEBFLT3NPC1POLB
SCHEMBL741480 0.76 MAP2K1 (0.49) CDK5DYRK1ARHEBFLT3CCNC
SCHEMBL8115640 0.76 MAP2K1 (0.37) RHEBCCNCCDK8MKNK1MKNK2
SCHEMBL29063057 0.76 RHEB (0.65) IDO1RHEBFLT3KDM4EHPGD
SCHEMBL20504845 0.76 RHEB (0.45) IDO1RHEBFLT3POLBKDM4E
SCHEMBL4785003 0.73 KMT2A (0.54) IDO1RHEBSYKFLT3POLB
SCHEMBL24843801 0.72 CHUK (0.35) IDO1CLK1CDK5DYRK1ACDK5R1

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
CN-114746090-A Azaindole carboxamide compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 — — CN disclosed
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