SCHEMBL29995264

SCHEMBL29995264

Nc1nonc1-c1nc2cc(F)ccc2n1Cc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 6/20 1.00
RPS6KA5 O75582 4/20 0.70
TSHR P16473 5/20 0.67
HTT P42858 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 2/20 0.67
TP53 P04637 2/20 0.67
MEN1 O00255 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60
DYRK1A Q13627 2/20 0.54
RPS6KB1 P23443 1/20 0.53

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
SCHEMBL26921966 1.00 KCNK13 (1.00) KCNK13RPS6KA5TSHRHTTSMN1; SMN2
SCHEMBL26922221 0.91 KCNK13 (1.00) KCNK13RPS6KA5TSHRHTTSMN1; SMN2
SCHEMBL26921864 0.88 KCNK13 (0.78) KCNK13RPS6KA5TSHRHTTSMN1; SMN2
SCHEMBL29995996 0.88 KCNK13 (0.78) KCNK13RPS6KA5TSHRHTTSMN1; SMN2
SCHEMBL26923068 0.87 KCNK13 (0.77) KCNK13RPS6KA5TSHRHTTSMN1; SMN2
SCHEMBL29995756 0.87 KCNK13 (0.77) KCNK13RPS6KA5TSHRHTTSMN1; SMN2
SCHEMBL29995147 0.84 KCNK13 (1.00) KCNK13RPS6KA5TSHRHTTSMN1; SMN2
SCHEMBL26921036 0.84 KCNK13 (1.00) KCNK13RPS6KA5TSHRHTTSMN1; SMN2
SCHEMBL29995640 0.83 KCNK13 (0.75) KCNK13RPS6KA5TSHRHTTSMN1; SMN2
SCHEMBL26921801 0.83 KCNK13 (0.75) KCNK13RPS6KA5TSHRHTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116981665-A Novel compounds 思瑞万斯公司 2023-10-31 CN claimed
EP-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP disclosed
CN-116981665-A Novel compounds 思瑞万斯公司 2023-10-31 CN disclosed
WO-2022167819-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2022-08-11 WO disclosed