SCHEMBL29589634

SCHEMBL29589634

Cc1n[nH]cc1-c1cnc2ccc(Br)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PTGES O14684 4/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CASP3 P42574 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL26112931 0.79 FGFR1 (0.33) PTGESKDRFGFR3
SCHEMBL24291075 0.74 FGFR2 (0.43) ALDH1A1MAPTMEN1MAPK10KMT2A
SCHEMBL27091283 0.74 IGF1R (0.32) PTGES
SCHEMBL29589979 0.74 IGF1R (0.32) PTGES
SCHEMBL2592957 0.72 MAPK1 (0.52) KDRFLT3FGFR3
SCHEMBL23389539 0.72 TGFBR1 (0.42) ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL7601150 0.71 NPC1 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23390013 0.70 TGFBR1 (0.42) —
SCHEMBL26003775 0.70 ALDH1A1 (0.36) ALDH1A1MAPTPTGESNPC1SMN1; SMN2
SCHEMBL1639504 0.70 HTT (0.41) ALDH1A1MAPTPTGESSMN1; SMN2CASP3

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
EP-4225749-A1 COMPOUNDS AND METHODS OF TREATING CANCERS Cullgen (Shanghai), Inc. (CN) 2023-08-16 — — EP disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 — — WO disclosed
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