SCHEMBL24565476

SCHEMBL24565476

CN(C)c1ccccc1Nc1nc(Nc2ccc3c(c2)OCC2COCCN32)nc2sccc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.40
▸ PTK2 Q05397 2/20 0.38
▸ EGFR P00533 2/20 0.37
▸ AAK1 Q2M2I8 10/20 0.37
▸ ALK Q9UM73 1/20 0.36
▸ JAK2 O60674 1/20 0.35

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
SCHEMBL24565459 0.88 PTK2 (0.46) BRD4PTK2EGFRAAK1ALK
SCHEMBL24565296 0.87 ALK (0.44) BRD4PTK2AAK1ALK
SCHEMBL24565259 0.79 AAK1 (0.39) EGFRAAK1
SCHEMBL24565192 0.78 WEE1 (0.42) BRD4PTK2EGFRALKJAK2
SCHEMBL29747126 0.74 PTK2 (0.50) PTK2EGFRALKJAK2
SCHEMBL29746907 0.74 PTK2 (0.53) PTK2EGFRALK
SCHEMBL24565202 0.74 MAPK9 (0.47) BRD4PTK2EGFRALK
SCHEMBL24565470 0.73 PTK2 (0.49) PTK2
SCHEMBL24565159 0.72 EGFR (0.41) EGFR
SCHEMBL24565279 0.72 EGFR (0.59) BRD4PTK2EGFRALKJAK2

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-2022139386-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-06-30 — — WO disclosed
Send feedback