SCHEMBL29645811

SCHEMBL29645811

CC(C)n1cc(-c2nc3c4cccc(OC(F)(F)F)c4nc(Nc4ccccnc4=O)n3n2)cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.34
P2RX7 Q99572 3/20 0.33
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
SYK P43405 2/20 0.32
FLT3 P36888 1/20 0.32
AURKB Q96GD4 1/20 0.32
C1R P00736 1/20 0.31
PDE10A Q9Y233 1/20 0.31
TP53 P04637 1/20 0.31
TTK P33981 1/20 0.31
PDK2 Q15119 1/20 0.30
IGF1R P08069 1/20 0.30
NTRK1 P04629 1/20 0.30
JAK2 O60674 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
SCHEMBL29645600 0.89 PDK2 (0.32) SLC40A1P2RX7AURKBPDK2JAK2
SCHEMBL31150076 0.87 JAK2 (0.33) SYKFLT3AURKBJAK2
SCHEMBL29645797 0.86 JAK2 (0.32) P2RX7SYKFLT3AURKBTP53
SCHEMBL29645601 0.86 MAPT (0.35) P2RX7FLT3JAK2
SCHEMBL29646040 0.84 JAK2 (0.31) P2RX7SYKFLT3AURKBTTK
SCHEMBL29645878 0.83 HSP90AA1 (0.35) SLC40A1P2RX7TTK
SCHEMBL29645692 0.83 BRD4 (0.32) AURKBJAK2
SCHEMBL29645717 0.83 FLT3 (0.32) SYKFLT3AURKBTTKPDK2
SCHEMBL29645480 0.83 MAPT (0.42) TP53
SCHEMBL31149922 0.81 LIMK1 (0.35) FLT3AURKBTP53JAK2

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