SCHEMBL19970064

SCHEMBL19970064

CCc1ccc(F)c(-n2nnc3ccccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.47
GRM2 Q14416 6/20 0.43
SLC9A1 P19634 6/20 0.43
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.40
CYP2C9 P11712 1/20 0.40
KEAP1 Q14145 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTK2 Q05397 1/20 0.38
POLB P06746 1/20 0.38
ESR1 P03372 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
SCHEMBL18522436 0.84 GRM2 (0.36) KCNMA1GRM2SLC9A1TDP1TSHR
SCHEMBL25873809 0.81 KCNMA1 (0.50) KCNMA1SLC9A1TSHRSMN1; SMN2RAB9A
SCHEMBL20821949 0.80 KCNMA1 (0.43) KCNMA1GRM2SLC9A1TDP1TSHR
SCHEMBL23694613 0.78 KCNMA1 (0.47) KCNMA1SLC9A1TSHRSMN1; SMN2RAB9A
SCHEMBL19829473 0.76 SLC9A1 (0.50) KCNMA1GRM2SLC9A1TDP1TSHR
SCHEMBL14610056 0.76 KCNMA1 (0.54) KCNMA1SLC9A1TSHRSMN1; SMN2RAB9A
SCHEMBL21371242 0.76 KCNMA1 (0.42) KCNMA1GRM2SLC9A1TDP1TSHR
SCHEMBL23134778 0.74 SLC9A1 (0.45) KCNMA1SLC9A1TSHRSMN1; SMN2RAB9A
SCHEMBL18994950 0.72 LMNA (0.44) LMNA
SCHEMBL25873798 0.72 KCNMA1 (0.50) KCNMA1SLC9A1TSHRSMN1; SMN2RAB9A

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
WO-2018049152-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed