SCHEMBL29084261

SCHEMBL29084261

Cc1ccnc(Nc2cc(C)c(C(N)=O)nn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.46
▸ NPC1 O15118 7/20 0.41
▸ RAB9A P51151 7/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ FDPS P14324 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ KARS1 Q15046 2/20 0.40
▸ SYK P43405 2/20 0.40
▸ JAK1 P23458 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ LTK P29376 1/20 0.39

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
SCHEMBL30379305 0.92 JAK2 (0.43) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL29084254 0.83 TYK2 (0.51) JAK2NPC1RAB9ATYK2PKM
SCHEMBL29084264 0.83 ALDH1A1 (0.46) SYKSORT1ALDH1A1
SCHEMBL30378912 0.79 JAK2 (0.47) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL28411950 0.78 SYK (0.43) JAK2TYK2SYKJAK1KCNH2
SCHEMBL29084257 0.77 SYK (0.39) JAK2TYK2SYKKCNH2MAP4K4
SCHEMBL28413940 0.76 NNMT (0.43) JAK2TYK2SYKJAK1KCNH2
SCHEMBL28477215 0.75 ILK (0.49) JAK2MEN1KMT2ATYK2TP53
SCHEMBL29084256 0.75 SYK (0.57) JAK2RAB9ATYK2SYKJAK1
SCHEMBL2912518 0.74 KDR (0.57) NPC1RAB9AMEN1KMT2AFDPS

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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