SCHEMBL9601632

SCHEMBL9601632

CNc1c(N)cnc2ccc(C)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
MAPK1 P28482 2/20 0.40
TNF P01375 2/20 0.40
PARP1 P09874 1/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
AURKB Q96GD4 1/20 0.36
NCK1 P16333 1/20 0.36
BACE1 P56817 1/20 0.36
IKBKB O14920 1/20 0.35
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL9601679 0.98 MAPK1 (0.40) HTR1AADRA1DADRA1AADRA1BMAPK1
SCHEMBL1584898 0.82 TNF (0.45) MAPK1TNFHTTMAPTSMN1; SMN2
SCHEMBL12183649 0.82 APP (0.43) PARP1MAPT
SCHEMBL10734072 0.82 PARP1 (0.38) TNFPARP1MAPTSMN1; SMN2TP53
SCHEMBL405366 0.82 NR4A2 (0.51) HTR1APARP1KDM4EMAPTGAA
SCHEMBL1023671 0.79 EGFR (0.53) MAPK1HTTKDM4EMAPTTP53
SCHEMBL10728941 0.79 HTR1A (0.41) HTR1AADRA1DADRA1AADRA1BMAPK1
SCHEMBL26199339 0.79 PARP1 (0.43) HTR1AADRA1DADRA1AADRA1BMAPK1
SCHEMBL9212223 0.77 LRRK2 (0.46) ADRA1AKDM4EMAPTSMN1; SMN2TDP1
SCHEMBL15215124 0.77 CSF1R (0.51) MAPK1MAPTSMN1; SMN2TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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