SCHEMBL29084254

SCHEMBL29084254

Cc1cc(Nc2ccccn2)nnc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.51
▸ JAK2 O60674 5/20 0.48
▸ JAK1 P23458 4/20 0.48
▸ JAK3 P52333 4/20 0.48
▸ NTRK1 P04629 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ PKM P14618 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ GRM5 P41594 1/20 0.40

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
SCHEMBL29084261 0.83 JAK2 (0.46) TYK2JAK2JAK1NPC1RAB9A
SCHEMBL28477215 0.81 ILK (0.49) TYK2JAK2JAK1JAK3SYK
SCHEMBL29084256 0.81 SYK (0.57) TYK2JAK2JAK1JAK3RAB9A
SCHEMBL28411950 0.78 SYK (0.43) TYK2JAK2JAK1SYK
SCHEMBL29084264 0.78 ALDH1A1 (0.46) SYKALDH1A1
SCHEMBL29084257 0.77 SYK (0.39) TYK2JAK2SYKLMNA
SCHEMBL30379305 0.76 JAK2 (0.43) TYK2JAK2JAK1JAK3NPC1
SCHEMBL28413940 0.76 NNMT (0.43) TYK2JAK2JAK1JAK3SYK
SCHEMBL28890909 0.74 SYK (0.44) SYK
SCHEMBL27171648 0.74 NPC1 (0.46) TYK2JAK2JAK1JAK3NPC1

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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