SCHEMBL26093572

SCHEMBL26093572

CN1CCCC(Nc2nnc(Cl)c3cc[nH]c23)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 10/20 0.50
▸ NLRP3 Q96P20 5/20 0.45
▸ CCNT1 O60563 1/20 0.43
▸ CCNK O75909 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ IL1B P01584 5/20 0.43
▸ BPTF Q12830 1/20 0.42

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
SCHEMBL26093567 1.00 KAT2B (0.50) KAT2BNLRP3CCNT1CCNKCCNE1
SCHEMBL26093063 0.93 KAT2B (0.50) KAT2BNLRP3CCNT1CCNKCCNE1
SCHEMBL26093070 0.93 KAT2B (0.50) KAT2BNLRP3CCNT1CCNKCCNE1
SCHEMBL30374596 0.93 KAT2B (0.50) KAT2BNLRP3CCNT1CCNKCCNE1
SCHEMBL27289122 0.88 KAT2B (0.46) KAT2BNLRP3CCNT1CCNKCCNE1
SCHEMBL27289128 0.85 KAT2B (0.51) KAT2BNLRP3CCNT1CCNKCCNE1
SCHEMBL27289089 0.84 NLRP3 (0.49) KAT2BNLRP3IL1B
SCHEMBL27289110 0.83 KAT2B (0.45) KAT2BNLRP3CCNT1CCNKCCNE1
SCHEMBL27289118 0.82 NLRP3 (0.55) KAT2BNLRP3IL1B
SCHEMBL30718303 0.81 IL1B (0.55) KAT2BNLRP3IL1B

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-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 — — WO disclosed
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