SCHEMBL21946745

SCHEMBL21946745

NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(N2CCNCC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 5/20 0.49
▸ CCNA2 P20248 2/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ CCND3 P30281 2/20 0.49
▸ CDK6 Q00534 1/20 0.49
▸ BTK Q06187 5/20 0.47
▸ LCK P06239 4/20 0.47
▸ JAK3 P52333 4/20 0.46
▸ CCND1 P24385 3/20 0.45
▸ EGFR P00533 2/20 0.44
▸ SYK P43405 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ CCND2 P30279 1/20 0.43
▸ CCNA1 P78396 1/20 0.43

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
SCHEMBL23081098 0.88 LCK (0.59) CDK4CCNA2CDK2CCND3CDK6
SCHEMBL21946319 0.88 BTK (0.59) BTKLCKJAK3EGFRSYK
SCHEMBL21855202 0.88 BTK (0.59) BTKLCKJAK3EGFRSYK
SCHEMBL21855214 0.82 JAK3 (0.70) BTKLCKJAK3EGFR
SCHEMBL21946753 0.82 CKS1B (0.48) CCNA2CDK2CCND3CDK6BTK
SCHEMBL18884637 0.81 BTK (0.64) BTKLCKJAK3EGFRSYK
SCHEMBL29264652 0.81 JAK3 (0.53) BTKLCKJAK3EGFR
SCHEMBL21947866 0.78 BTK (0.55) BTKLCKJAK3EGFR
SCHEMBL21946750 0.77 BTK (0.40) BTKLCKJAK3EGFR
SCHEMBL25604897 0.77 BTK (0.60) BTKLCKJAK3EGFRSYK

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-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 — — WO disclosed
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