SCHEMBL29645692

SCHEMBL29645692

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
JAK2 O60674 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PABPC1 P11940 1/20 0.30
EIF4H Q15056 1/20 0.30
TYK2 P29597 1/20 0.30
AURKA O14965 1/20 0.30
LIMK1 P53667 1/20 0.30
AURKB Q96GD4 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
SCHEMBL31149920 0.92 JAK2 (0.32) JAK2KDM5BTYK2AURKALIMK1
SCHEMBL31150076 0.88 JAK2 (0.33) JAK2KDM5BTYK2AURKALIMK1
SCHEMBL29645797 0.88 JAK2 (0.32) JAK2KDM5BAURKALIMK1AURKB
SCHEMBL29645601 0.88 MAPT (0.35) JAK2KDM5BTYK2
SCHEMBL29645600 0.86 PDK2 (0.32) JAK2KDM5BTYK2AURKALIMK1
SCHEMBL29646040 0.86 JAK2 (0.31) JAK2KDM5BAURKALIMK1AURKB
SCHEMBL29645717 0.85 FLT3 (0.32) BRD4JAK2KDM5BTYK2AURKB
SCHEMBL29645761 0.85 ROS1 (0.34) BRD4
SCHEMBL29645480 0.85 MAPT (0.42)
SCHEMBL29645811 0.83 SLC40A1 (0.34) JAK2AURKB

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