SCHEMBL29645916

SCHEMBL29645916

O=c1nccccc1Nc1nc2c(Br)cccc2c2nc(-c3cnn(CC4CC4)c3)nn12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
ADORA2A P29274 4/20 0.33
ADORA2B P29275 4/20 0.33
ADORA1 P30542 4/20 0.33
ADORA3 P0DMS8 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
PIM1 P11309 2/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CSF1R P07333 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR3 P22607 1/20 0.30

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
SCHEMBL29645716 0.97 ADORA3 (0.32) EGFRKDM5BADORA2AADORA2BADORA1
SCHEMBL31150019 0.92 EGFR (0.34) EGFRKDM5BADORA2AADORA2BADORA1
SCHEMBL29646030 0.90 KMT2A (0.35) KDM5BADORA2AADORA1ADORA3PIM1
SCHEMBL31150114 0.89 ADORA3 (0.33) EGFRKDM5BADORA2AADORA3HDAC1
SCHEMBL29645998 0.88 MAPT (0.41) EGFRADORA1ADORA3
SCHEMBL29645810 0.87 ADORA3 (0.35) ADORA2AADORA1ADORA3
SCHEMBL29645911 0.86 CLK2 (0.33) KDM5BPIM1
SCHEMBL29645908 0.86 RIPK1 (0.33) EGFRADORA3
SCHEMBL29645471 0.85 MAPT (0.40) EGFRADORA1ADORA3
SCHEMBL29645797 0.84 JAK2 (0.32) KDM5BADORA2AADORA1ADORA3

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