SCHEMBL25990660

SCHEMBL25990660

COc1cc(C)cc(N(c2ccc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.32
▸ PDK2 Q15119 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ BCR P11274 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
SCHEMBL23065504 0.94 ABL1 (0.34) PDE4DPDK2ABL1ABCB1BCR
SCHEMBL23065502 0.91 KDM4E (0.33) PDK2
SCHEMBL23065503 0.90 PDE4D (0.39) PDE4DPDK2ABL1ABCB1BCR
SCHEMBL24974915 0.88 PDK2 (0.36) PDE4DPDK2ABL1ABCB1BCR
SCHEMBL24923292 0.87 PDK2 (0.34) PDK2
SCHEMBL23065044 0.86 PDK2 (0.35) PDK2
SCHEMBL23065543 0.83 KDM4E (0.30) PDK2
SCHEMBL20806589 0.82 KDM4E (0.33) PDK2
SCHEMBL26278219 0.82 PDK2 (0.33) PDK2
SCHEMBL26282975 0.82 KDM4E (0.32) PDK2

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
US-20230210002-A1 COMPOSITION, AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-29 — — US disclosed
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