SCHEMBL18743368

SCHEMBL18743368

Cc1cc(N)n(-c2ccc(C)c(F)c2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.71
▸ KMT2A Q03164 4/20 0.71
▸ ALDH1A1 P00352 3/20 0.71
▸ SMN1; SMN2 Q16637 6/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ CYP2C19 P33261 3/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ MAPK1 P28482 2/20 0.57
▸ LMNA P02545 3/20 0.55
▸ POLB P06746 3/20 0.54
▸ PKM P14618 1/20 0.46
▸ NPC1 O15118 2/20 0.43
▸ APEX1 P27695 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL18692285 0.88 MEN1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL28515762 0.84 ALDH1A1 (0.96) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL17054335 0.83 MAPT (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL31165906 0.81 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL21436696 0.81 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL6284416 0.81 CYP1A2 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL18692351 0.80 ALDH1A1 (0.71) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL224624 0.77 CYP1A2 (0.72) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL8864119 0.77 CYP1A2 (0.72) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL10929795 0.77 ALDH1A1 (0.71) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 — — WO disclosed
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