SCHEMBL23770442

SCHEMBL23770442

Cc1ccc(C#N)cc1-c1nc(N)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 3/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ AR P10275 2/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ FASN P49327 3/20 0.35
▸ VCAM1 P19320 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ EIF4E P06730 1/20 0.34

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
SCHEMBL23770666 0.80 KRAS (0.39) EGLN2CYP11B1CYP11B2ARFASN
SCHEMBL23770740 0.79 HSD11B1 (0.33) EGLN2ARABL1CDC7CDK2
SCHEMBL19925179 0.78 HSD11B1 (0.46) ABL1KDM4E
SCHEMBL29464537 0.78 HSD11B1 (0.46) ABL1KDM4E
SCHEMBL29464929 0.78 ABL1 (0.46) NOS3NOS1NOS2ABL1CCNT1
SCHEMBL19925120 0.78 ABL1 (0.46) NOS3NOS1NOS2ABL1CCNT1
SCHEMBL23770430 0.76 ABL1 (0.33) EGLN2CYP11B1CYP11B2ARABL1
SCHEMBL19951268 0.74 SCN9A (0.45) —
SCHEMBL19968759 0.73 BACE1 (0.47) NOS3NOS1NOS2ADORA2AHPGD
SCHEMBL29464888 0.73 BACE1 (0.47) NOS3NOS1NOS2ADORA2AHPGD

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 — — EP disclosed
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