SCHEMBL29907240

SCHEMBL29907240

CCOc1nccc2[nH]cnc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.45
DRD1 P21728 3/20 0.45
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.40
MMP12 P39900 1/20 0.39
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RPS6KA5 O75582 1/20 0.35
BRD4 O60885 1/20 0.34
GRM4 Q14833 1/20 0.34
CDK1 P06493 1/20 0.34
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL27147455 1.00 LRRK2 (0.45) LRRK2DRD1HPGDSMN1; SMN2EGLN1
SCHEMBL18520013 0.85 DRD1 (0.45) DRD1HPGDSMN1; SMN2EGLN1ALDH1A1
SCHEMBL986616 0.81 DRD1 (0.47) LRRK2DRD1EGLN1MMP12ALDH1A1
SCHEMBL29424879 0.81 DRD1 (0.47) LRRK2DRD1EGLN1MMP12ALDH1A1
SCHEMBL27147106 0.81 DRD1 (0.42) LRRK2DRD1EGLN1MMP12ALDH1A1
SCHEMBL31588225 0.79 DRD1 (0.45) LRRK2DRD1EGLN1MMP12ALDH1A1
SCHEMBL18490452 0.77 CDC7 (0.49) DRD1HPGDEGLN1ALDH1A1CDK1
Alcohol SCHEMBL4794104 0.76 DRD1 (0.49) DRD1HPGDEGLN1ALDH1A1RPS6KA5
SCHEMBL842410 0.72 DRD1 (0.52) DRD1HPGDEGLN1MMP12ALDH1A1
SCHEMBL12894974 0.71 DRD2 (0.54) HPGDSMN1; SMN2ALDH1A1PKMKDM4E

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-4326719-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-02-28 EP disclosed
WO-2022221939-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE UNIVERSITE DE MONTREAL (CA) 2022-10-27 WO disclosed