SCHEMBL30461540

SCHEMBL30461540

Clc1cc2c(cc1I)ncn2C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 3/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
IKZF3 Q9UKT9 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
PRKCI P41743 1/20 0.35
IDO1 P14902 2/20 0.34
KCNH2 Q12809 2/20 0.34
KDM5B Q9UGL1 1/20 0.34
CYP2C9 P11712 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 2/20 0.34
GLRA3 O75311 1/20 0.33

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
SCHEMBL24463271 1.00 HSD17B10 (0.38) HSD17B10GAADRD2SLC6A4ALDH1A1
SCHEMBL24463552 0.94 GAA (0.43) HSD17B10GAADRD2SLC6A4ALDH1A1
SCHEMBL24463663 0.86 LRRK2 (0.37) HSD17B10GAADRD2SLC6A4DDB1
SCHEMBL24463541 0.80 CYP17A1 (0.41) HSD17B10GAADRD2SLC6A4ALDH1A1
SCHEMBL24463284 0.80 IDO1 (0.42) HSD17B10GAADRD2SLC6A4ALDH1A1
SCHEMBL30490091 0.78 DDB1 (0.33) DDB1CRBNIKZF3KMT2ATHRB
SCHEMBL30390291 0.78 DDB1 (0.33) DDB1CRBNIKZF3KMT2ATHRB
SCHEMBL24463356 0.78 DDB1 (0.33) DDB1CRBNIKZF3KMT2ATHRB
SCHEMBL24463571 0.78 FGFR1 (0.38) HSD17B10GAADRD2SLC6A4ALDH1A1
SCHEMBL15748917 0.75 EGFR (0.40) HSD17B10GAADRD2SLC6A4ALDH1A1

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
WO-2023107870-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KINNATE BIOPHARMA INC. (US) 2023-06-15 WO disclosed
CN-116057045-A Fibroblast growth factor receptor kinase inhibitors 金耐特生物制药公司 2023-05-02 CN disclosed