SCHEMBL21483598

SCHEMBL21483598

NCCNc1nc(NCCN)nc(NCCC([Si](O)(O)O)[Si](O)(O)O)n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
RECQL P46063 1/20 0.30
MCL1 Q07820 1/20 0.30
ZAP70 P43403 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL28841307 0.82 CXCR4 (0.31) CXCR4
SCHEMBL430482 0.80 CXCR4 (0.40) CXCR4CA12CA1CA2CA9
SCHEMBL16628554 0.76
SCHEMBL16628578 0.76 L3MBTL1 (0.33) MCL1ZAP70SYK
SCHEMBL16628617 0.75 SYK (0.30) SYK
SCHEMBL15813011 0.74 CXCR4 (0.35) CXCR4CA12CA1CA2CA9
SCHEMBL27928515 0.72 CXCR4 (0.34) CXCR4CA12CA1CA2CA9
SCHEMBL21483596 0.72 CA1 (0.36) CXCR4CA12CA1CA2CA9
SCHEMBL21527302 0.72 CA12 (0.49) CXCR4CA12CA1CA2CA9
SCHEMBL9528787 0.72 CA1 (0.40) CXCR4CA12CA1CA2CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3557234-B1 THERMAL CHARACTERIZATION MEASUREMENT DEVICE AND THERMAL CHARACTERIZATION MEASUREMENT METHOD USING SAME TOYOTA MOTOR CO LTD (JP) 2023-11-08 EP disclosed
US-11327034-B2 Measurement device for estimating thermal characteristics, and measurement method for estimating thermal characteristics by using same TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2022-05-10 US disclosed
US-20200064287-A1 MEASUREMENT DEVICE FOR ESTIMATING THERMAL CHARACTERISTICS, AND MEASUREMENT METHOD FOR ESTIMATING THERMAL CHARACTERISTICS BY USING SAME TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2020-02-27 US disclosed
EP-3557234-A1 THERMAL CHARACTERIZATION MEASUREMENT DEVICE AND THERMAL CHARACTERIZATION MEASUREMENT METHOD USING SAME TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2019-10-23 EP disclosed