SCHEMBL30040108

SCHEMBL30040108

COc1ccn2c(Cc3ccc(N(C)C)cc3)c(-c3ccccc3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.45
▸ AKT2 P31751 1/20 0.45
▸ RAD51 Q06609 1/20 0.44
▸ ADORA3 P0DMS8 6/20 0.39
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ CALM1 P0DP23 1/20 0.38
▸ ADORA1 P30542 1/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL30039361 0.85 SMN1; SMN2 (0.54) AKT1AKT2KDM4EALDH1A1RAB9A
SCHEMBL30039938 0.85 KCNK3 (0.51) RAD51KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL30040911 0.84 KDM4E (0.45) AKT1AKT2KDM4EALDH1A1RAB9A
SCHEMBL30040616 0.83 NPC1 (0.55) RAD51KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL30039667 0.83 SMN1; SMN2 (0.52) RAD51KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL28630210 0.77 HDAC1 (0.57) AKT1AKT2KDM4EALDH1A1RAB9A
SCHEMBL28392454 0.77 AKT1 (0.49) AKT1AKT2MTNR1AMTNR1BRAB9A
SCHEMBL30040080 0.76 RAB9A (0.47) RAD51KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL30040120 0.75 NR1H4 (0.57) KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL30038776 0.75 MAPT (0.61) RAD51KDM4EALDH1A1RAB9ASMN1; SMN2

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-115261896-B Synthesis method of 4' -alkylamino benzyl-3-imidazo [1,2-a ] pyridine derivative 深圳职业技术学院 2024-08-30 — — CN disclosed
CN-115261896-A Synthesis method of 4' -alkylaminobenzyl-3-imidazo [1,2-a ] pyridine derivative 深圳职业技术学院 2022-11-01 — — CN disclosed
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