SCHEMBL4095742

SCHEMBL4095742

CC(=O)c1cn(C(C)C)c2c(Br)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.39
KAT2B Q92831 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
CREBBP Q92793 1/20 0.35
F2R P25116 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL15724407 0.81 KAT2B (0.41) BRD4L3MBTL1PARP1KAT2BSMN1; SMN2
SCHEMBL4095238 0.80 KCNH2 (0.35) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL2599810 0.75 ALDH1A1 (0.40) PARP1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL12444946 0.74 KAT2B (0.56) BRD4L3MBTL1KAT2BKMT2AMEN1
SCHEMBL4094763 0.74 PDE4B (0.32) ALDH1A1
SCHEMBL2229144 0.72 NTRK1 (0.36) BRD4L3MBTL1PARP1SMN1; SMN2POLB
SCHEMBL4084945 0.71 DYRK1A (0.41) SMN1; SMN2KDM4EALDH1A1
SCHEMBL14854378 0.71 BRD4 (0.51) BRD4L3MBTL1PARP1KMT2AMEN1
SCHEMBL4045955 0.71 LMNA (0.65) BRD4L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL5338984 0.71 SMN1; SMN2 (0.46) BRD4L3MBTL1KAT2BKMT2ASMN1; SMN2

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-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed