SCHEMBL31443337

SCHEMBL31443337

CC(C)(C)c1nc(-c2cccc(I)c2F)c(-c2ccnc(NC3CCN(S(C)(=O)=O)CC3)n2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 4/20 0.48
▸ CDK2 P24941 7/20 0.46
▸ CDK1 P06493 6/20 0.46
▸ BRAF P15056 4/20 0.46
▸ CDK4 P11802 4/20 0.46
▸ CDK6 Q00534 3/20 0.46
▸ CDK5 Q00535 2/20 0.46
▸ NR1I2 O75469 2/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ EPHB6 O15197 1/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ ULK1 O75385 1/20 0.46
▸ ERN1 O75460 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ KRAS P01116 1/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46

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
SCHEMBL31443311 0.91 BRAF (0.49) IKBKBCDK2CDK1BRAFCDK4
SCHEMBL2193137 0.86 BRAF (0.66) IKBKBCDK2CDK1BRAFCDK4
SCHEMBL31443335 0.85 BRAF (0.49) IKBKBCDK2CDK1BRAFCDK4
SCHEMBL31443342 0.84 BRAF (0.60) IKBKBCDK2CDK1BRAFCDK4
SCHEMBL31443369 0.84 BRAF (0.63) IKBKBCDK2CDK1BRAFCDK4
SCHEMBL12350384 0.84 NR1I2 (0.58) IKBKBCDK2CDK1BRAFCDK4
SCHEMBL31443385 0.83 BRAF (0.58) IKBKBCDK2CDK1BRAFCDK4
SCHEMBL31443390 0.82 BRAF (0.57) IKBKBCDK2CDK1BRAFCDK4
SCHEMBL31443434 0.82 BRAF (0.59) IKBKBCDK2CDK1BRAFCDK4
SCHEMBL31443318 0.82 BRAF (0.56) IKBKBCDK2CDK1BRAFCDK4

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-2025072462-A1 SULFONAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2025-04-03 — — WO disclosed
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