SCHEMBL10069459

SCHEMBL10069459

O=C(Nc1ccnc(NC(=O)c2ccccc2Br)c1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
JAK2 O60674 2/20 0.62
TYK2 P29597 2/20 0.62
ATM Q13315 1/20 0.56
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
POLB P06746 1/20 0.50
F2R P25116 4/20 0.49
KCNK3 O14649 3/20 0.48
KCNK9 Q9NPC2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL10069451 0.82 KMT2A (0.79) KMT2AMEN1NPC1RAB9AF2R
SCHEMBL10069464 0.81 F2R (0.70) KMT2AF2RSMN1; SMN2
SCHEMBL10069453 0.80 F2R (0.71) JAK2TYK2F2RSMN1; SMN2
SCHEMBL24150224 0.78 JAK2 (0.60) KMT2AMEN1JAK2TYK2NPC1
SCHEMBL29899082 0.78 NPC1 (0.61) KMT2AMEN1JAK2TYK2ATM
SCHEMBL16620629 0.78 NPC1 (0.61) KMT2AMEN1JAK2TYK2ATM
SCHEMBL3514581 0.77 TYK2 (1.00) JAK2TYK2
SCHEMBL27615981 0.77 KCNK9 (0.69) KMT2AMEN1JAK2TYK2NPC1
SCHEMBL27473596 0.76 MEN1 (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL23070709 0.75 KMT2A (0.68) KMT2AMEN1NPC1RAB9AF2R

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
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed