SCHEMBL29645601

SCHEMBL29645601

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPK14 Q16539 1/20 0.33
HSP90AB1 P08238 1/20 0.32
JAK2 O60674 2/20 0.32
KMT2A Q03164 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
LRRK2 Q5S007 2/20 0.32
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
FLT3 P36888 1/20 0.31
JAK3 P52333 1/20 0.31
P2RX7 Q99572 3/20 0.31
ADORA3 P0DMS8 1/20 0.31
PDPK1 O15530 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31

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
SCHEMBL31149975 0.92 MAPT (0.37) MAPTTHRBHSP90AB1JAK2KDM5B
SCHEMBL29645797 0.90 JAK2 (0.32) THRBJAK2KDM5BFLT3P2RX7
SCHEMBL31150076 0.90 JAK2 (0.33) MAPTJAK2KDM5BJAK1TYK2
SCHEMBL29646040 0.88 JAK2 (0.31) JAK2KDM5BFLT3P2RX7
SCHEMBL29645600 0.88 PDK2 (0.32) JAK2KDM5BTYK2P2RX7ADORA3
SCHEMBL29645692 0.88 BRD4 (0.32) JAK2KDM5BTYK2
SCHEMBL29645717 0.87 FLT3 (0.32) JAK2KDM5BJAK1TYK2FLT3
SCHEMBL29645480 0.87 MAPT (0.42) MAPTTHRBKMT2AADORA3
SCHEMBL29645811 0.86 SLC40A1 (0.34) JAK2FLT3P2RX7
SCHEMBL29645864 0.84 MAPT (0.40) MAPTTHRBKMT2A

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