SCHEMBL29759773

SCHEMBL29759773

NC(=O)c1cnn2cc(-c3cncnc3)sc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.40
JAK3 P52333 11/20 0.40
JAK2 O60674 6/20 0.37
TYK2 P29597 6/20 0.37
KCNH2 Q12809 1/20 0.37
ADORA1 P30542 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
RIPK2 O43353 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MKNK1 Q9BUB5 2/20 0.31
MKNK2 Q9HBH9 2/20 0.31
TSHR P16473 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL29759991 0.85 MKNK1 (0.46) JAK1JAK3JAK2TYK2PKN1
SCHEMBL30566450 0.85 MKNK1 (0.46) JAK1JAK3JAK2TYK2PKN1
SCHEMBL29760263 0.84 CDC7 (0.43) JAK1JAK3JAK2TYK2CHUK
SCHEMBL24576870 0.81 MKNK1 (0.41) JAK1JAK3TYK2KCNH2MKNK1
SCHEMBL24576965 0.81 CHEK1 (0.37) JAK1JAK3JAK2TYK2IKBKB
SCHEMBL30566577 0.81 RIPK2 (0.32) JAK1JAK3JAK2TYK2RIPK2
Hydrochloric Acid SCHEMBL30566474 0.80 MKNK1 (0.41) JAK1JAK3TYK2KCNH2MKNK1
Hydrochloric Acid SCHEMBL29759885 0.80 CHEK1 (0.37) JAK1JAK3JAK2TYK2IKBKB
SCHEMBL24578221 0.79 RIPK2 (0.33) JAK1JAK3JAK2TYK2RIPK2
SCHEMBL30566465 0.79 RIPK2 (0.33) JAK1JAK3JAK2TYK2IKBKB

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
EP-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 EP disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed