SCHEMBL17952892

SCHEMBL17952892

c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccncc2-c2cnccc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MAPK10 P53779 1/20 0.38
▸ IMPDH2 P12268 1/20 0.38
▸ CYP17A1 P05093 2/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ HASPIN Q8TF76 1/20 0.35
▸ KDR P35968 1/20 0.35

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
SCHEMBL23348023 0.90 MAPK10 (0.40) PIK3CAMKNK1MAPK10IMPDH2CYP17A1
SCHEMBL17952787 0.89 PIK3CA (0.42) PIK3CAMKNK1MAPK10IMPDH2CYP17A1
SCHEMBL21692320 0.88 PIK3CA (0.46) PIK3CAMKNK1MAPK10IMPDH2CYP17A1
SCHEMBL23255440 0.88 KIF11 (0.39) PIK3CAHTR6DHODHCYP11B1CYP11B2
SCHEMBL21758173 0.88 CYP11B2 (0.42) PIK3CACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL23347688 0.88 MAPK10 (0.36) PIK3CAMKNK1MAPK10IMPDH2CYP17A1
SCHEMBL20613840 0.87 MAPK10 (0.38) PIK3CAMKNK1MAPK10HTR6CYP1A2
SCHEMBL26003647 0.87 MEN1 (0.39) PIK3CAMAPK10IMPDH2HTR6DHODH
SCHEMBL23347946 0.86 MAPK10 (0.39) PIK3CAMAPK10CYP17A1CYP1A2TNF
SCHEMBL23255422 0.86 CYP11B1 (0.38) HTR6DHODHCYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247771-B1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2020-06-10 — — EP disclosed
US-10544361-B2 Pyridines and derivatives thereof as components for use in optoelectronic components CYNORA GMBH (DE) 2020-01-28 — — US disclosed
WO-2016116517-A1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 — — WO disclosed
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