SCHEMBL25841452

SCHEMBL25841452

c1ccc2c(-c3ncnc4sc5ccccc5c34)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 2/20 0.39
▸ PRKD1 Q15139 2/20 0.39
▸ PRKD2 Q9BZL6 2/20 0.39
▸ RIPK2 O43353 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CSK P41240 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ PRKCE Q02156 1/20 0.39
▸ CAMK2A Q9UQM7 1/20 0.39
▸ LIMK1 P53667 4/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ TGFBR1 P36897 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ELANE P08246 1/20 0.36

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
SCHEMBL25461724 0.85 LMNA (0.40) CDK2LIMK1CDK5CDK5R1TGFBR1
SCHEMBL25461723 0.81 CYP2A6 (0.40) LIMK1CDK5CDK5R1ELANEALDH1A1
SCHEMBL18370866 0.78 ADORA2A (0.47) PRKD3ABL1MAPK8CAMK2ALIMK1
SCHEMBL17305871 0.78 ADK (0.41) PRKD3PRKD1PRKD2RIPK2ABL1
SCHEMBL25461722 0.76 RAB9A (0.38) TGFBR1HTTELANEALDH1A1HPGD
SCHEMBL18370713 0.76 ALDH1A1 (0.43) ELANEADKALDH1A1HPGDMAPT
SCHEMBL25461740 0.76 NPC1 (0.37) LIMK1CDK5CDK5R1HTTELANE
SCHEMBL25663345 0.73 KDR (0.46) LIMK1CDK5CDK5R1ALDH1A1HPGD
SCHEMBL25841444 0.73 GPR3 (0.37) PRKD3PRKD1PRKD2RIPK2ABL1
SCHEMBL18370711 0.73 ALDH1A1 (0.40) TGFBR1ELANEADKALDH1A1HPGD

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
WO-2023134228-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2023-07-20 — — WO disclosed
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