SCHEMBL6984622

SCHEMBL6984622

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.39
KHK P50053 2/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MGLL Q99685 1/20 0.37
HRH4 Q9H3N8 3/20 0.37
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37

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
SCHEMBL6981026 0.93 AGTR2 (0.40) AGTR2KHKKMT2ALMNASMN1; SMN2
SCHEMBL6986283 0.89 HTR2C (0.42) AGTR2KHKHTR3AHTR6
SCHEMBL6988437 0.88 ALDH1A1 (0.45) KMT2ALMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL6981802 0.88 ALDH1A1 (0.42) AGTR2KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL6986113 0.88 AGTR2 (0.41) AGTR2KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL6983767 0.87 DRD4 (0.41) AGTR2KHKKMT2ALMNAPOLB
SCHEMBL6986237 0.86 AGTR2 (0.39) AGTR2KMT2ALMNAPOLBALDH1A1
SCHEMBL6984282 0.86 HSD17B10 (0.43) KMT2ALMNASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6988584 0.86 USP2 (0.43) AGTR2KHKKMT2ALMNAPOLB
SCHEMBL6984642 0.85 HRH3 (0.39) AGTR2BRD4HRH3

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