SCHEMBL4758731

SCHEMBL4758731

COc1cccc(-c2cnc3c(-c4csc5ccccc45)cnn3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.62
KMT2A Q03164 1/20 0.53
MAOB P27338 1/20 0.52
BMP4 P12644 5/20 0.52
BMPR1B O00238 2/20 0.52
BMPR1A P36894 2/20 0.52
ACVRL1 P37023 2/20 0.52
ACVR1 Q04771 2/20 0.52
ACVR1B P36896 1/20 0.52
TGFBR1 P36897 1/20 0.52
TGFBR2 P37173 1/20 0.52
PRKAB1 Q9Y478 1/20 0.52
GAK O14976 1/20 0.51
FLT1 P17948 2/20 0.50
FLT4 P35916 2/20 0.50

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
SCHEMBL4160576 0.80 KDR (0.52) KDRKMT2A
SCHEMBL4757135 0.75 KDR (0.68) KDRKMT2AMAOBBMP4BMPR1B
SCHEMBL27649615 0.75 KDM1A (0.46) KMT2AMAOB
SCHEMBL7610618 0.70 KDR (1.00) KDRKMT2ABMP4BMPR1BBMPR1A
SCHEMBL4475017 0.69 KDR (0.61) KDRKMT2AMAOBBMP4BMPR1B
SCHEMBL11953447 0.68 BMP4 (1.00) KDRBMP4BMPR1BBMPR1AACVRL1
SCHEMBL4171150 0.68 KDR (0.66) KDRKMT2ABMP4FLT1FLT4
SCHEMBL29395473 0.67 ACVR1 (1.00) KDRBMP4BMPR1BBMPR1AACVRL1
SCHEMBL11953869 0.67 ACVR1 (1.00) KDRBMP4BMPR1BBMPR1AACVRL1
SCHEMBL2590879 0.67 CYP1A2 (0.48) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1993552-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2008-11-26 EP disclosed
WO-2007103432-A9 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2008-01-10 WO disclosed
WO-2007103432-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2007-09-13 WO disclosed