SCHEMBL31380717

SCHEMBL31380717

CC(C)(c1ccccc1)N1C2C=CC1CN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.47
HTR2C P28335 2/20 0.47
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AGTR2 P50052 1/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
HPGD P15428 1/20 0.43
RORC P51449 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL29937215 0.83 L3MBTL1 (0.41) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL25330133 0.82 RORC (0.49) RORCJAK2JAK1
SCHEMBL24894335 0.82 RORC (0.49) RORCJAK2JAK1
SCHEMBL31049054 0.81 MDM4 (0.42) KMT2A
SCHEMBL27221947 0.80 SMN1; SMN2 (0.38) SMN1; SMN2CYP2C19KMT2A
SCHEMBL16472054 0.78 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTHTR2C
SCHEMBL14372548 0.76 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTTHTR2C
SCHEMBL16472423 0.76 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTTHTR2C
SCHEMBL15218647 0.76 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTTHTR2C
SCHEMBL30994589 0.74 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTHTR2C

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-2025026903-A1 IMIDAZO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-02-06 WO disclosed