SCHEMBL20068950

SCHEMBL20068950

CN1CCC(C)(NC(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
WDR5 P61964 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ANO1 Q5XXA6 4/20 0.47
KCNH2 Q12809 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
FPR2 P25090 1/20 0.46
GRM5 P41594 1/20 0.46
POLB P06746 1/20 0.46
NAMPT P43490 1/20 0.45
P2RX7 Q99572 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCR1 P32246 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL13753617 0.89 TP53 (0.56) TP53MEN1KMT2AANO1FPR2
SCHEMBL20147571 0.86 CHRNA1 (0.48) TP53MEN1KMT2AANO1FPR2
SCHEMBL20068946 0.84 CYP2C19 (0.61) TP53KMT2AANO1NAMPTNPC1
SCHEMBL16565618 0.83 ATM (0.49) KMT2AP2RX7NPC1RAB9A
SCHEMBL20069661 0.82 HCN1 (0.56) TP53WDR5MEN1KMT2ANPC1
SCHEMBL20069766 0.82 PRMT5 (0.45) KMT2APOLB
SCHEMBL20068952 0.81 DYRK1A (0.45) DRD2DRD3
SCHEMBL20069737 0.80 MEN1 (0.54) WDR5MEN1KMT2A
SCHEMBL20147991 0.79 RET (0.46) TP53KMT2ANPC1RAB9A
SCHEMBL20069767 0.79 RET (0.45) TP53KMT2ANPC1

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed