SCHEMBL31473372

SCHEMBL31473372

N#Cc1ccc(NC2CCC(F)(F)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 11/20 0.52
CCNK O75909 5/20 0.52
CDK12 Q9NYV4 5/20 0.52
CCNA2 P20248 3/20 0.52
CDK2 P24941 3/20 0.52
DPP4 P27487 1/20 0.47
JAK3 P52333 2/20 0.46
JAK2 O60674 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45

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
SCHEMBL27296081 1.00 CCR6 (0.52) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL31473437 0.92 CCR6 (0.47) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL27298383 0.92 CCR6 (0.47) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL27309066 0.92 CCR6 (0.47) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL15717203 0.88 CCNK (0.62) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL27303358 0.85 CCR6 (0.48) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL15739639 0.84 CCR6 (0.56) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL12596407 0.84 CCR6 (0.56) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL21986130 0.83 CCR6 (0.40) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL507198 0.83 CCR6 (0.55) CCR6CCNKCDK12CCNA2CDK2

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
CN-119866333-A KIT inhibitors, compounds, pharmaceutical compositions, and methods of use thereof 亚力维克希斯股份有限公司 2025-04-22 CN disclosed