SCHEMBL29084255

SCHEMBL29084255

Cc1ccnc(Nc2ccc(C(N)=O)c(C)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.52
▸ KARS1 Q15046 6/20 0.45
▸ NNMT P40261 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SORT1 Q99523 2/20 0.42
▸ SYK P43405 2/20 0.42
▸ AURKA O14965 2/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ LTK P29376 1/20 0.42

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
SCHEMBL30378912 0.76 JAK2 (0.47) JAK2KARS1NNMTNPC1RAB9A
SCHEMBL2912518 0.74 KDR (0.57) KARS1NPC1RAB9APOLBKMT2A
SCHEMBL31247536 0.74 JAK2 (0.54) JAK2AURKARPS6KB1AURKBMAPK8
SCHEMBL29084261 0.72 JAK2 (0.46) JAK2KARS1NPC1RAB9AKMT2A
SCHEMBL28418739 0.72 GAA (0.58) JAK2NNMTNPC1RAB9APOLB
SCHEMBL901655 0.72 KARS1 (0.70) JAK2KARS1NPC1RAB9AKMT2A
SCHEMBL30923290 0.71 JAK2 (0.48) JAK2KARS1NNMTNPC1RAB9A
SCHEMBL27819532 0.71 NPC1 (0.45) KARS1NPC1RAB9APOLBKMT2A
SCHEMBL9749752 0.71 NR3C2 (0.64) NPC1RAB9AKMT2APKMSMN1; SMN2
SCHEMBL2869562 0.70 KARS1 (0.55) JAK2KARS1NPC1RAB9AKMT2A

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-111936486-B Heterocyclic compounds comprising pyridine as modulators of IL-12, IL-23 and/or IFN alpha responses 百时美施贵宝公司 2023-09-22 — — CN disclosed
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