SCHEMBL14355772

SCHEMBL14355772

COc1ccc(-c2cnn3cccnc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.61
▸ BMP4 P12644 4/20 0.60
▸ FLT1 P17948 2/20 0.60
▸ FLT4 P35916 2/20 0.60
▸ KMT2A Q03164 1/20 0.54
▸ BMPR1B O00238 3/20 0.51
▸ BMPR1A P36894 3/20 0.51
▸ ACVRL1 P37023 3/20 0.51
▸ ACVR1 Q04771 3/20 0.51
▸ TGFBR2 P37173 3/20 0.51
▸ PRKAB1 Q9Y478 2/20 0.51
▸ BMPR2 Q13873 1/20 0.51
▸ ACVR1B P36896 1/20 0.49
▸ TGFBR1 P36897 1/20 0.49
▸ SMPD3 Q9NY59 1/20 0.49
▸ PDE2A O00408 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ ACVR2A P27037 1/20 0.47

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
SCHEMBL30837690 0.86 KDR (0.46) KDRBMP4FLT1FLT4KMT2A
SCHEMBL7112314 0.81 KDR (0.59) KDRBMP4FLT1FLT4KMT2A
SCHEMBL29799087 0.80 KDR (0.61) KDRBMP4FLT1FLT4SMPD3
Hydrochloric Acid SCHEMBL29504907 0.78 KDR (0.59) KDRBMP4FLT1FLT4SMPD3
SCHEMBL7610618 0.76 KDR (1.00) KDRBMP4FLT1FLT4KMT2A
SCHEMBL16177068 0.75 IRAK4 (0.52) BMP4SMPD3IRAK4
Hydrochloric Acid SCHEMBL30172429 0.75 BMP4 (0.50) KDRBMP4BMPR1BBMPR1AACVRL1
SCHEMBL9175179 0.75 BMP4 (0.50) KDRBMP4FLT1FLT4SMPD3
SCHEMBL2059685 0.75 KDR (1.00) KDRBMP4FLT1FLT4KMT2A
SCHEMBL31227929 0.74 PCSK9 (0.49) BMP4SMPD3IRAK4

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-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 — — WO disclosed
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