SCHEMBL3034636

SCHEMBL3034636

COc1cc(N2CCC(Cn3ccnc3C)CC2)ccc1-n1cnc2c(N)nc(N)nc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 0.38
KCNH2 Q12809 1/20 0.35
PIM1 P11309 1/20 0.35
CCR1 P32246 1/20 0.33
CSF1R P07333 1/20 0.33
F10 P00742 1/20 0.33
CDK1 P06493 2/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
HTR4 Q13639 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
CRHR1 P34998 1/20 0.32
INSR P06213 1/20 0.32
IGF1R P08069 1/20 0.32
ALK Q9UM73 1/20 0.32

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
SCHEMBL30399128 0.79 FYN (0.41) HSP90AA1HSP90AB1
SCHEMBL13177798 0.79 HTR4 (0.41) KCNH2PIM1CCR1F10CDK1
SCHEMBL3034624 0.78 PDE7A (0.41) PIM1
SCHEMBL2952950 0.78 DHFR (0.43) HSP90AA1HSP90AB1INSRALK
SCHEMBL2954051 0.78 DHFR (0.44) HSP90AA1HSP90AB1
SCHEMBL2948890 0.77 TTK (0.45) HSP90AA1HSP90AB1INSRIGF1RALK
SCHEMBL2953119 0.77 TTK (0.43) INSRIGF1RALK
SCHEMBL2952077 0.76 INSR (0.42) HSP90AA1HSP90AB1INSRIGF1RALK
SCHEMBL2950126 0.74 TTK (0.42) HSP90AA1HSP90AB1
SCHEMBL2952940 0.74 SMPD3 (0.41) INSRIGF1RALK

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed