SCHEMBL26645791

SCHEMBL26645791

COc1ccc(Nc2nn3c(c2-c2ccncc2)CN(C(=O)OC(C)(C)C)CC3)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 1/20 0.46
▸ GALR1 P47211 1/20 0.46
▸ CSNK1E P49674 3/20 0.40
▸ CSF1R P07333 1/20 0.39
▸ CFTR P13569 2/20 0.38
▸ JAK2 O60674 3/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ CSNK1D P48730 2/20 0.37
▸ MKNK1 Q9BUB5 3/20 0.37
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36

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
SCHEMBL30623109 1.00 GALR2 (0.46) GALR2GALR1CSNK1ECSF1RCFTR
SCHEMBL26645199 0.87 JAK2 (0.43) CSNK1EJAK2JAK1JAK3PTK2
SCHEMBL30622390 0.86 CSNK1E (0.41) CSNK1ECSF1RGSK3AGSK3BABCG2
SCHEMBL26644886 0.86 CSNK1E (0.41) CSNK1ECSF1RGSK3AGSK3BABCG2
SCHEMBL26645138 0.86 GALR2 (0.48) GALR2GALR1CSNK1ECFTRJAK2
SCHEMBL26645016 0.85 CSNK1E (0.42) GALR2GALR1CSNK1ECFTRCSNK1D
SCHEMBL30622850 0.85 CSNK1E (0.42) GALR2GALR1CSNK1ECFTRCSNK1D
SCHEMBL26645254 0.84 MAPT (0.48) CSNK1EJAK2JAK1JAK3PTK2
SCHEMBL26645230 0.83 BUB1 (0.47) CSNK1EJAK2JAK1JAK3CSNK1D
SCHEMBL30622881 0.82 CCNT1 (0.42) GALR2GALR1JAK2JAK1JAK3

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
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
Send feedback