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SCHEMBL29940762

SCHEMBL29940762

NCCNc1nc(NCCN)nc(NCCC([Si](OC(=O)c2ccccc2)(OC(=O)c2ccccc2)OC(=O)c2ccccc2)[Si](OC(=O)c2ccccc2)(OC(=O)c2ccccc2)OC(=O)c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ZAP70 P43403 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ BCDIN3D Q7Z5W3 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL16628578 0.79 L3MBTL1 (0.33) ZAP70SYKLMNAKMT2AMCL1
SCHEMBL29940374 0.78 PKM (0.37) PKMMAPK1ZAP70SYKALDH1A1
SCHEMBL20656505 0.78 APP (0.37) ZAP70SYKLMNABCDIN3DRECQL
SCHEMBL16628661 0.78 HTR7 (0.38) MAPK1ZAP70SYKALDH1A1BCDIN3D
SCHEMBL16628554 0.73 — —
SCHEMBL21483598 0.70 CXCR4 (0.32) ZAP70SYKRECQLMCL1
SCHEMBL16628617 0.68 SYK (0.30) SYK
SCHEMBL903264 0.66 TDP1 (0.49) PKMMAPK1ALDH1A1LMNAKMT2A
SCHEMBL12510997 0.65 RHOA (0.69) ZAP70SYKKMT2ARECQLMCL1
SCHEMBL15836254 0.65 RHOA (0.69) ZAP70SYKKMT2ARECQLMCL1

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-111050929-B Laminate and method for producing same ＡＧＣ株式会社 2022-07-22 — — CN disclosed