SCHEMBL30945405

SCHEMBL30945405

Nc1ncc(F)c(-c2ccc3nc(NC4CCCC4)sc3c2)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK2 Q92630 11/20 0.57
▸ CSF1R P07333 9/20 0.48
▸ PDGFRB P09619 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ FLT3 P36888 1/20 0.45

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
SCHEMBL30883978 0.87 DYRK2 (0.57) DYRK2CSF1RPDGFRBKITPDGFRA
SCHEMBL26448024 0.87 DYRK2 (0.57) DYRK2CSF1RPDGFRBKITPDGFRA
SCHEMBL28523402 0.79 DYRK2 (0.66) DYRK2
SCHEMBL29212669 0.78 DYRK2 (0.72) DYRK2
SCHEMBL29754442 0.76 SMN1; SMN2 (0.50) DYRK2
SCHEMBL16666086 0.75 MAPT (0.59) CSF1R
SCHEMBL18453934 0.74 CDK4 (0.55) —
SCHEMBL26447936 0.74 DYRK2 (0.98) DYRK2
Hydrochloric Acid SCHEMBL30569704 0.74 DYRK2 (1.00) DYRK2
Hydrochloric Acid SCHEMBL26679974 0.74 DYRK2 (1.00) DYRK2

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
WO-2024119866-A1 BENZOTHIAZOLE PYRIMIDINEAMINE DYRK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2024-06-13 — — WO disclosed
Send feedback