SCHEMBL3788019

SCHEMBL3788019

CN1CCN(c2ccnc3c(-c4cccc5ccccc45)cnn23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.49
KDR P35968 1/20 0.43
ACVR1B P36896 1/20 0.43
TGFBR1 P36897 1/20 0.43
TGFBR2 P37173 1/20 0.43
BMPR2 Q13873 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
RIPK3 Q9Y572 1/20 0.41
ALK Q9UM73 1/20 0.41
ACHE P22303 1/20 0.41
ACVR1 Q04771 2/20 0.40
MET P08581 1/20 0.39
HTR2C P28335 1/20 0.39
HTR3A P46098 3/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3783586 0.74 METAP2 (0.49)
SCHEMBL13258193 0.70 HTR2C (0.37) HTR2CNPC1RAB9A
SCHEMBL2385662 0.69 HRH4 (0.55) HRH4ALKACHEMETHTR2C
SCHEMBL9215294 0.67 PRKD3 (0.38) NPC1RAB9A
SCHEMBL605232 0.67 HRH4 (1.00) HRH4HTR2CHTR3AHTR3EHTR3B
SCHEMBL3705492 0.67 KCNN1 (0.43) NPC1RAB9A
SCHEMBL2385659 0.66 HRH4 (0.56) HRH4ACHEHTR3A
SCHEMBL6862126 0.65 HRH4 (0.49) HRH4ACHEHTR2CHTR3A
SCHEMBL3710870 0.65 EED (0.43) NPC1RAB9A
SCHEMBL3705948 0.65 KDM4E (0.42) NPC1RAB9A

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
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO claimed
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO disclosed