SCHEMBL13638951

SCHEMBL13638951

COCCNC(=O)c1cc(CN2CC[C@@H](OC)C2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
GRM2 Q14416 1/20 0.38
KMT2A Q03164 1/20 0.36
SCD O00767 2/20 0.36
SCD5 Q86SK9 2/20 0.36
MCHR1 Q99705 2/20 0.36
ACKR3 P25106 1/20 0.36
POLB P06746 1/20 0.36
PARP1 P09874 1/20 0.36
TNK1 Q13470 1/20 0.36
PIN1 Q13526 3/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL13638824 0.95 KMT2A (0.39) PDCD1CD274GRM2KMT2ASCD
SCHEMBL2770055 0.95 PARP1 (0.38) KMT2ASCDSCD5MCHR1ACKR3
SCHEMBL13638912 0.93 KMT2A (0.47) KMT2A
SCHEMBL13639003 0.92 PIN1 (0.37) KMT2ASCDSCD5PIN1HPGD
SCHEMBL13638771 0.92 SCD (0.36) PDCD1CD274KMT2ASCDSCD5
SCHEMBL13638833 0.92 GRM2 (0.39) PDCD1CD274GRM2SCDSCD5
SCHEMBL13639001 0.92 KMT2A (0.38) PDCD1CD274GRM2KMT2ASCD
SCHEMBL2770243 0.92 KMT2A (0.38) PDCD1CD274GRM2KMT2ASCD
SCHEMBL2770504 0.92 PIN1 (0.37) KMT2ASCDSCD5PIN1HPGD
SCHEMBL2770606 0.92 PIN1 (0.37) KMT2ASCDSCD5PIN1HPGD

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed