SCHEMBL29645499

SCHEMBL29645499

O=c1nccccc1Nc1nc2cccc(C(F)(F)F)c2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
CSNK1D P48730 2/20 0.34
MAT2A P31153 1/20 0.34
KCNT1 Q5JUK3 1/20 0.34
SCN9A Q15858 5/20 0.33
SCN5A Q14524 3/20 0.33
PDE10A Q9Y233 1/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
CSNK1E P49674 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL29646027 0.91 MAPT (0.36) MAPTPDE10ATP53LMNA
SCHEMBL31149879 0.91 MAPT (0.35) MAPTCSNK1DMAT2AKCNT1SCN9A
SCHEMBL29645787 0.88 MAPT (0.38) MAPTCSNK1DPDE10ATP53LMNA
SCHEMBL29645511 0.88 ADORA3 (0.41) MAPTCSNK1DPDE10ATP53LMNA
SCHEMBL29646148 0.86 LMNA (0.39) MAPTCSNK1DMAT2AKCNT1SCN9A
SCHEMBL29645458 0.85 MAPT (0.50) MAPTTP53POLBRXFP1
SCHEMBL29645744 0.84 MAPT (0.36) MAPTCSNK1DMAT2APDE10ATP53
SCHEMBL29646050 0.84 MAPT (0.42) MAPTPOLBRXFP1PSEN1PSEN2
SCHEMBL29646031 0.84 KDR (0.33) KCNT1SCN9APDE10APSEN1PSEN2
SCHEMBL31150040 0.82 MAPT (0.35) MAPTPDE10ATP53RXFP1

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