SCHEMBL29952533

SCHEMBL29952533

Cc1cc(B(O)O)c2cnn(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.35
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ HAVCR2 Q8TDQ0 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ ALDH1A2 O94788 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ALDH1A3 P47895 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ NOTUM Q6P988 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
SCHEMBL2729661 0.76 CCR4 (0.39) KDRLMNACREBBP
SCHEMBL29664064 0.76 CCR4 (0.39) KDRLMNACREBBP
SCHEMBL15011334 0.75 CREBBP (0.34) KDRCREBBP
Hydrochloric Acid SCHEMBL29958115 0.75 CCR4 (0.38) KDRLMNACREBBP
SCHEMBL29958362 0.75 CREBBP (0.34) KDRCREBBP
SCHEMBL27228033 0.74 ADORA2A (0.39) KDRADORA2AADORA2BKDM4ELMNA
SCHEMBL30861129 0.74 ADORA2A (0.39) KDRADORA2AADORA2BKDM4ELMNA
SCHEMBL29955542 0.74 ADORA2A (0.32) ADORA2AADORA2BIDO1TDO2
SCHEMBL26581097 0.72 KDM4E (0.44) KDRKDM4EKMOKDM4CALDH1A1
SCHEMBL29704434 0.70 CREBBP (0.34) KDRCREBBP

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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