SCHEMBL6983724

SCHEMBL6983724

CC(C)n1nc(-c2cc(N3CCN(C(=O)CN(C)C)CC3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX3 P56373 1/20 0.39
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
AGTR2 P50052 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ADRB2 P07550 1/20 0.37
CDK2 P24941 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL6986113 0.87 AGTR2 (0.41) MEN1KMT2AHSD17B10SMN1; SMN2USP2
SCHEMBL6988584 0.85 USP2 (0.43) MEN1KMT2ASMN1; SMN2USP2AGTR2
SCHEMBL6981026 0.85 AGTR2 (0.40) MEN1KMT2AHSD17B10SMN1; SMN2TP53
SCHEMBL6984622 0.83 AGTR2 (0.39) KMT2AHSD17B10SMN1; SMN2AGTR2LMNA
SCHEMBL6986283 0.81 HTR2C (0.42) AGTR2
SCHEMBL6983767 0.81 DRD4 (0.41) MEN1KMT2AHSD17B10SMN1; SMN2USP2
SCHEMBL6986237 0.80 AGTR2 (0.39) MEN1KMT2AAGTR2KDM4EGAA
SCHEMBL6988437 0.80 ALDH1A1 (0.45) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL6981802 0.79 ALDH1A1 (0.42) MEN1KMT2AP2RX3HSD17B10SMN1; SMN2
SCHEMBL6984282 0.78 HSD17B10 (0.43) MEN1KMT2AHSD17B10SMN1; SMN2USP2

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-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed