SCHEMBL29862768

SCHEMBL29862768

Cc1cnc2ccc(N[C@@H]3CCNC3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 2/20 0.46
▸ ITK Q08881 2/20 0.45
▸ AXL P30530 3/20 0.43
▸ BRD4 O60885 2/20 0.42
▸ ATAD2 Q6PL18 2/20 0.42
▸ SYK P43405 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ MAPK3 P27361 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ HTR6 P50406 2/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ PARP14 Q460N5 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PLK4 O00444 1/20 0.38
▸ PRKCI P41743 1/20 0.38

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
Hydrochloric Acid SCHEMBL23360598 0.99 MET (0.46) METITKAXLBRD4ATAD2
Hydrochloric Acid SCHEMBL23360596 0.99 MET (0.46) METITKAXLBRD4ATAD2
Hydrochloric Acid SCHEMBL23360074 0.81 MET (0.48) METITKAXLBRD4ATAD2
Hydrochloric Acid SCHEMBL28834079 0.80 BRD4 (0.45) METITKAXLBRD4ATAD2
SCHEMBL21460236 0.79 MEN1 (0.47) AXLSYKHTR6
Hydrochloric Acid SCHEMBL23360394 0.78 PIK3CD (0.46) AXLSYKHTR6
Hydrochloric Acid SCHEMBL23360393 0.78 PIK3CD (0.46) AXLSYKHTR6
Hydrochloric Acid SCHEMBL23360481 0.78 PIK3CD (0.46) AXLSYKHTR6
Hydrochloric Acid SCHEMBL23360315 0.76 MALT1 (0.50) METHTR6CHEK2
Hydrochloric Acid SCHEMBL23359861 0.76 MALT1 (0.50) METHTR6CHEK2

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
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 — — CN disclosed
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