SCHEMBL29646016

SCHEMBL29646016

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(C(F)F)cc3)nn12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
POLB P06746 3/20 0.44
ADORA3 P0DMS8 2/20 0.42
ADORA1 P30542 1/20 0.42
THRB P10828 2/20 0.41
RAD52 P43351 2/20 0.40
SMARCA2 P51531 1/20 0.40
KMT2A Q03164 1/20 0.40
UHRF1 Q96T88 1/20 0.40
TP53 P04637 4/20 0.40
HCRTR1 O43613 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29645760 0.90 MAPT (0.56) MAPTPOLBADORA3ADORA1THRB
SCHEMBL29645503 0.89 ADORA3 (0.49) MAPTPOLBADORA3ADORA1THRB
SCHEMBL29646028 0.88 MAPT (0.45) MAPTPOLBADORA3ADORA1THRB
SCHEMBL29645834 0.87 ADORA3 (0.49) MAPTPOLBADORA3ADORA1THRB
SCHEMBL29645888 0.87 MAPT (0.55) MAPTPOLBADORA3ADORA1THRB
SCHEMBL29645486 0.86 ADORA3 (0.52) MAPTPOLBADORA3ADORA1THRB
SCHEMBL29645731 0.85 MAPT (0.44) MAPTPOLBADORA3ADORA1THRB
SCHEMBL29645487 0.84 MAPT (0.59) MAPTPOLBADORA3THRBTP53
SCHEMBL29645859 0.84 MAPT (0.44) MAPTPOLBADORA3ADORA1THRB
SCHEMBL29645516 0.84 MAPT (0.46) MAPTPOLBADORA3ADORA1THRB

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-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN claimed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed