SCHEMBL30219262

SCHEMBL30219262

COc1ccc(COc2ccc(COc3cc(Cl)cnc3N)cc2OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 9/20 0.58
NTRK1 P04629 2/20 0.58
NTRK2 Q16620 2/20 0.58
NTRK3 Q16288 1/20 0.58
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 1/20 0.48
PLK1 P53350 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
MAP4K3 Q8IVH8 1/20 0.45
KIT P10721 1/20 0.44

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
SCHEMBL21357098 1.00 CSF1R (0.58) CSF1RNTRK1NTRK2NTRK3NPC1
SCHEMBL21357226 0.91 CSF1R (0.54) CSF1RNTRK1NTRK2NTRK3NPC1
SCHEMBL30219290 0.91 CSF1R (0.54) CSF1RNTRK1NTRK2NTRK3NPC1
SCHEMBL21357125 0.84 NPC1 (0.51) CSF1RNTRK1NTRK2NTRK3NPC1
SCHEMBL30219266 0.84 NPC1 (0.51) CSF1RNTRK1NTRK2NTRK3NPC1
SCHEMBL21357189 0.82 CSF1R (0.64) CSF1RNTRK1NTRK2NTRK3NPC1
SCHEMBL25440054 0.81 CSF1R (0.49) CSF1RNTRK1NTRK2NTRK3NPC1
SCHEMBL30574157 0.81 CSF1R (0.49) CSF1RNTRK1NTRK2NTRK3NPC1
SCHEMBL21357142 0.81 CSF1R (0.49) CSF1RNTRK1NTRK2NTRK3NPC1
SCHEMBL30219253 0.81 CSF1R (0.49) CSF1RNTRK1NTRK2NTRK3NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN claimed
CN-116715625-A Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-09-08 CN disclosed
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN disclosed