SCHEMBL27650628

SCHEMBL27650628

NCCc1ccc(-n2ccnc2)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.55
CYP2C19 P33261 4/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK1 P28482 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.40
TAAR1 Q96RJ0 2/20 0.38
IDO1 P14902 2/20 0.38
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ADH5 P11766 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
SCHEMBL251863 0.89 CYP1A2 (0.57) CYP1A2CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL994454 0.81 CYP1A2 (0.62) CYP1A2CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL12017706 0.76 CYP1A2 (0.62) CYP1A2CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL18049192 0.73 LOXL2 (0.55) CYP1A2CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL16562303 0.72 ALDH1A1 (0.47) CYP1A2CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL252117 0.72 CYP3A4 (0.57) CYP1A2CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL10232920 0.72 CYP1A2 (0.57) CYP1A2CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL1237285 0.72 CYP1A2 (0.57) CYP1A2CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL12015798 0.72 ALDH1A1 (0.57) CYP1A2CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL29595684 0.71 CYP3A4 (1.00) CYP1A2CYP2C19ALDH1A1LMNACYP3A4

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-1902200-A 1h-imidazoquinoline derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2007-01-24 CN claimed
CN-1902200-A 1h-imidazoquinoline derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2007-01-24 CN disclosed