SCHEMBL29189886

SCHEMBL29189886

COc1cc(CNCC2CC2)cc2nc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)oc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.36
▸ VSIR Q9H7M9 8/20 0.36
▸ CD274 Q9NZQ7 4/20 0.35
▸ PDCD1 Q15116 3/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ DRD2 P14416 3/20 0.33
▸ DRD4 P21917 3/20 0.33
▸ DRD3 P35462 3/20 0.33
▸ CXCR4 P61073 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL29189956 0.97 KCNH2 (0.37) KCNH2VSIRCD274PDCD1DRD2
SCHEMBL29189973 0.97 CD274 (0.37) KCNH2VSIRCD274PDCD1CYP2D6
SCHEMBL29190133 0.91 VSIR (0.35) KCNH2VSIRCD274PDCD1DRD2
SCHEMBL29190058 0.90 MAPT (0.39) —
SCHEMBL29190061 0.90 MAPT (0.39) —
SCHEMBL29190117 0.90 MAPT (0.39) —
SCHEMBL29190137 0.89 KCNH2 (0.39) KCNH2CD274PDCD1CYP2D6GRIN2B
SCHEMBL29189911 0.89 VSIR (0.38) VSIRCD274PDCD1
SCHEMBL29190104 0.88 S1PR1 (0.36) VSIRCD274PDCD1
SCHEMBL29189893 0.88 CD274 (0.39) VSIRCD274PDCD1

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-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
Send feedback