SCHEMBL17952856

SCHEMBL17952856

c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cnccc3-c3ccncc3-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.43
▸ DYRK1A Q13627 1/20 0.39
▸ IMPDH2 P12268 1/20 0.39
▸ ALK Q9UM73 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ CYP17A1 P05093 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ CYP46A1 Q9Y6A2 1/20 0.37
▸ MAPK10 P53779 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HASPIN Q8TF76 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
SCHEMBL17952768 0.94 PIK3CA (0.46) PIK3CARPS6KA3DYRK1AIMPDH2ALK
SCHEMBL21046108 0.91 PIK3CA (0.41) PIK3CARPS6KA3DYRK1AIMPDH2ALK
SCHEMBL22126344 0.88 CYP11B2 (0.44) PIK3CARPS6KA3CYP17A1
SCHEMBL10100905 0.87 MAPK10 (0.41) PIK3CATNFMKNK1MEN1KMT2A
SCHEMBL17952858 0.86 KDM4E (0.42) RPS6KA3DYRK1ACYP1A2
SCHEMBL17952857 0.86 KDM4E (0.42) RPS6KA3DYRK1ACYP1A2
SCHEMBL15945736 0.86 CDK4 (0.42) PIK3CADYRK1AMKNK1MEN1KMT2A
SCHEMBL11965527 0.86 CDK4 (0.42) PIK3CADYRK1AMKNK1MEN1KMT2A
SCHEMBL15945688 0.84 CDK4 (0.43) PIK3CADYRK1ACYP1A2MKNK1MEN1
SCHEMBL15945738 0.84 CDK4 (0.43) PIK3CADYRK1ACYP1A2MKNK1MEN1

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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