SCHEMBL9602301

SCHEMBL9602301

Cc1ccc2ncc3nc(C(F)(F)F)n(C)c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.42
PIK3CD O00329 6/20 0.42
MTOR P42345 7/20 0.40
ADRB2 P07550 3/20 0.40
ELANE P08246 1/20 0.39
PARP1 P09874 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
ADRA2A P08913 1/20 0.36
HTR2C P28335 1/20 0.36
AXL P30530 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 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
SCHEMBL9602152 0.81 PIK3CA (0.56) PIK3CAPIK3CDMTORPARP1PIK3CB
SCHEMBL9602278 0.75 PIK3CA (0.40) PIK3CAPIK3CDMTORPARP1PIK3CB
SCHEMBL5987629 0.74 ACSS2 (0.49) ADRB2ELANEHTT
Hydrochloric Acid SCHEMBL9602926 0.73 PIK3CA (0.39) PIK3CAPIK3CDMTORPARP1PIK3CB
SCHEMBL18855755 0.72 JAK1 (0.61) PIK3CAMTOR
SCHEMBL9601158 0.71 PDE10A (0.41) PIK3CAPIK3CDMTORPARP1PIK3CB
Hydrochloric Acid SCHEMBL10427766 0.70 PDE10A (0.41) PIK3CAPIK3CDMTORPARP1PIK3CB
Hydrochloric Acid SCHEMBL9603216 0.70 PDE10A (0.41) PIK3CAPIK3CDMTORPARP1PIK3CB
SCHEMBL9207616 0.70 HTR1A (0.41) PIK3CAPIK3CDMTORPARP1PIK3CB
SCHEMBL16803953 0.70 MTOR (0.55) PIK3CAPIK3CDMTORPARP1PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4698348-A 1H-imidazo[4,5-c]quinolines and their use as bronchodilating agents RIKER LABORATORIES, INC. (US) 1987-10-06 US claimed
EP-0310950-B1 Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes RIKER LABORATORIES, INC. (US) 1993-01-13 EP disclosed
EP-0145340-B1 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1990-01-24 EP disclosed
EP-0310950-A1 Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes RIKER LABORATORIES, INC. (US) 1989-04-12 EP disclosed
US-4698348-A 1H-imidazo[4,5-c]quinolines and their use as bronchodilating agents RIKER LABORATORIES, INC. (US) 1987-10-06 US disclosed
EP-0145340-A2 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1985-06-19 EP disclosed