SCHEMBL3832725

SCHEMBL3832725

O=C(Cc1ccccc1)Oc1ccnc2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ PAM P19021 1/20 0.41
▸ ATM Q13315 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ UCHL1 P09936 1/20 0.39
▸ USP5 P45974 1/20 0.39
▸ USP4 Q13107 1/20 0.39

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
SCHEMBL28195451 0.84 CYP19A1 (0.48) CYP19A1L3MBTL1SMN1; SMN2LMNAGAA
SCHEMBL27550728 0.78 CYP19A1 (0.44) CYP19A1L3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL28006254 0.75 KDM4E (0.55) SMN1; SMN2LMNAGAAKMT2ATSHR
SCHEMBL10753183 0.74 LMNA (0.78) L3MBTL1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL3290432 0.74 HSD17B10 (0.56) L3MBTL1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL11007879 0.74 KMT2A (0.36) L3MBTL1SMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL10573912 0.74 MAPK1 (0.61) CYP19A1L3MBTL1SMN1; SMN2KMT2ATSHR
SCHEMBL3832728 0.72 L3MBTL1 (0.54) L3MBTL1SMN1; SMN2LMNAKMT2AMAPK1
SCHEMBL1177985 0.72 CYP19A1 (0.54) CYP19A1L3MBTL1SMN1; SMN2LMNAGAA
SCHEMBL2411339 0.71 FEN1 (0.45) L3MBTL1SMN1; SMN2LMNAGAAKMT2A

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
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 — — EP claimed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 — — WO claimed
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