SCHEMBL24465461

SCHEMBL24465461

BrCc1nc2ccc(I)cc2nc1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.39
PARP1 P09874 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 5/20 0.33
NOS1 P29475 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 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
SCHEMBL19432430 0.79 NPC1 (0.53) MEN1NPC1RAB9AKMT2AAPP
SCHEMBL30932262 0.77 PABPC1 (0.47) ERBB2MEN1NPC1RAB9AKMT2A
SCHEMBL9700727 0.75 PIK3CG (0.46) ERBB2MEN1KMT2AKDM4E
SCHEMBL19075884 0.75 NQO2 (0.57) ERBB2MEN1NPC1RAB9AKMT2A
SCHEMBL30932231 0.75 PIK3CG (0.46) ERBB2MEN1KMT2AKDM4E
SCHEMBL19084327 0.75 ERBB2 (0.39) ERBB2MEN1NPC1RAB9AKMT2A
SCHEMBL30932254 0.75 KDM4E (0.52) ERBB2PARP1MEN1NPC1RAB9A
SCHEMBL30932232 0.75 NQO2 (0.57) ERBB2MEN1NPC1RAB9AKMT2A
SCHEMBL1667048 0.75 APP (0.37) PARP1MEN1NPC1KMT2AAPP
SCHEMBL2035725 0.75 APP (0.37) PARP1MEN1NPC1KMT2AAPP

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
EP-3250238-B1 ANTIBODY DRUG CONJUGATES SORRENTO THERAPEUTICS INC (US) 2022-06-01 EP disclosed