SCHEMBL28293876

SCHEMBL28293876

Oc1nc2cccc(-c3ccccc3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.42
CCND1 P24385 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
MAP4K4 O95819 1/20 0.41
CSF1R P07333 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
LTK P29376 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
LIMK1 P53667 1/20 0.41
CDK5 Q00535 1/20 0.41

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
SCHEMBL27761849 0.80 NPC1 (0.56) MAP4K4CSF1RFGFR1PDGFRALTK
SCHEMBL11707809 0.79 FGFR1 (0.49) CDK4CCND1MAP4K4CSF1RFGFR1
Water SCHEMBL28237887 0.79 NPC1 (0.55) MAP4K4CSF1RFGFR1PDGFRALTK
SCHEMBL9306192 0.79 MAP4K4 (0.41) CDK4CCND1L3MBTL1CCNB2CCNE2
SCHEMBL6883476 0.79 ADORA3 (0.53) MAP4K4CSF1RFGFR1PDGFRALTK
SCHEMBL7146757 0.79 NPC1 (0.55) HPGDALDH1A1HSD17B10NPC1GAA
SCHEMBL9306901 0.79 MAP4K4 (0.41) CDK4CCND1L3MBTL1CCNB2CCNE2
SCHEMBL7981298 0.78 MAP4K4 (0.38) CDK4CCND1L3MBTL1CCNB2CCNE2
SCHEMBL30872095 0.77 NPC1 (0.49) MAP4K4CSF1RFGFR1PDGFRALTK
SCHEMBL230980 0.77 NPC1 (0.49) MAP4K4CSF1RFGFR1PDGFRALTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109761973-A Nitrogenous compound and Organnic electroluminescent device including the nitrogenous compound 三星显示有限公司 2019-05-17 CN disclosed
CN-105103316-B Thermo-electric converting material, thermoelectric conversion element, thermoelectric power generation article and sensor-use source 富士胶片株式会社 2018-01-05 CN disclosed