SCHEMBL29645502

SCHEMBL29645502

O=c1nccccc1Nc1nc2c(F)cccc2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 5/20 0.39
TP53 P04637 4/20 0.38
THRB P10828 1/20 0.35
CSNK1D P48730 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34

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
SCHEMBL29645799 0.91 LMNA (0.38) RXFP1LMNAMAPTTP53CSNK1D
SCHEMBL29645778 0.91 LMNA (0.38) RXFP1LMNAMAPTTP53THRB
SCHEMBL29645618 0.90 ADORA3 (0.40) RXFP1LMNAMAPTTP53GABRP
SCHEMBL29646148 0.89 LMNA (0.39) RXFP1LMNAMAPTTP53THRB
SCHEMBL29645458 0.89 MAPT (0.50) RXFP1MAPTTP53THRB
SCHEMBL29645443 0.89 LMNA (0.40) RXFP1LMNAMAPTTP53GABRP
SCHEMBL29645883 0.86 AMY1A (0.37) RXFP1LMNAMAPTTP53CSNK1D
SCHEMBL29645839 0.84 KDM4E (0.47) MAPTTP53THRB
SCHEMBL29646046 0.84 ADORA1 (0.36)
SCHEMBL31150076 0.82 JAK2 (0.33) MAPTABCG2

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
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