SCHEMBL24174490

SCHEMBL24174490

Cc1cc(Nc2cc3nccn3c(N[C@H]3CC[C@H](CC#N)CC3)n2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 18/20 0.43
▸ TYK2 P29597 17/20 0.43
▸ JAK1 P23458 12/20 0.43
▸ JAK2 O60674 11/20 0.43
▸ PLK4 O00444 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ RET P07949 1/20 0.35

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
SCHEMBL24174461 1.00 JAK3 (0.43) JAK3TYK2JAK1JAK2PLK4
SCHEMBL24995625 0.82 TYK2 (0.63) JAK3TYK2JAK1JAK2
SCHEMBL22055017 0.82 TYK2 (0.65) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL23878776 0.82 TYK2 (0.65) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL22055329 0.79 TYK2 (0.52) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL23889710 0.78 TYK2 (0.52) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL23889557 0.77 TYK2 (0.53) JAK3TYK2JAK1JAK2RET
SCHEMBL24175051 0.76 JAK3 (0.69) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL24174781 0.76 JAK3 (0.69) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL24174782 0.76 JAK3 (0.69) JAK3TYK2JAK1JAK2P2RX3

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-115916747-A Fused heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2023-04-04 — — CN disclosed
WO-2022002118-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF 四川海思科制药有限公司 2022-01-06 — — WO disclosed
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