SCHEMBL29354575

SCHEMBL29354575

c1cncc(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.77
CLK1 P49759 4/20 0.70
CLK2 P49760 4/20 0.70
DYRK1A Q13627 4/20 0.70
CLK4 Q9HAZ1 3/20 0.70
DYRK1B Q9Y463 3/20 0.70
CLK3 P49761 3/20 0.70
GSK3B P49841 2/20 0.70
DYRK3 O43781 1/20 0.70
CDK5 Q00535 1/20 0.70
CDK5R1 Q15078 1/20 0.70
DYRK2 Q92630 1/20 0.70
PIM1 P11309 2/20 0.63
PIM3 Q86V86 1/20 0.63
PIM2 Q9P1W9 1/20 0.63
CYP11B1 P15538 4/20 0.57
CYP11B2 P19099 4/20 0.57
CYP19A1 P11511 3/20 0.57
CYP17A1 P05093 2/20 0.57
CDK2 P24941 1/20 0.53

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
SCHEMBL758312 1.00 FGFR1 (0.77) FGFR1CLK1CLK2DYRK1ACLK4
SCHEMBL16935421 0.87 FGFR1 (1.00) FGFR1CLK1CLK2DYRK1ACLK4
SCHEMBL2455100 0.82 GSK3B (1.00) FGFR1CLK1CLK2DYRK1ACLK4
SCHEMBL1422720 0.82 NPC1 (0.66) FGFR1ALDH1A1
SCHEMBL4791316 0.81 CLK1 (1.00) FGFR1CLK1CLK2DYRK1ACLK4
SCHEMBL26260198 0.78 CYP11B2 (0.88) FGFR1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL14688781 0.78 PIM1 (1.00) FGFR1CLK2DYRK1ACLK3PIM1
SCHEMBL15651609 0.77 MAPK1 (0.71) FGFR1CLK1CLK2DYRK1ACLK4
SCHEMBL27074803 0.77 GSK3B (0.70) FGFR1CLK1CLK2DYRK1ACLK4
SCHEMBL6657347 0.77 NPC1 (0.64) FGFR1CYP11B1CYP11B2CYP19A1CYP17A1

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-113968859-B Multi-element condensed ring compound and application thereof in organic electroluminescent device 北京鼎材科技有限公司 2024-09-24 CN disclosed
CN-113968859-A Multi-element fused ring compound and application thereof in organic electroluminescent device 北京鼎材科技有限公司 2022-01-25 CN disclosed