SCHEMBL31060748

SCHEMBL31060748

Cc1ccc(-c2nc(-c3ccc(C)cc3)c3nc[nH]c3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.59
ADORA1 P30542 6/20 0.59
ADORA2A P29274 3/20 0.54
ALDH1A1 P00352 2/20 0.41
DPP4 P27487 1/20 0.39
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL31060236 0.84 ADORA3 (0.59) ADORA3ADORA1ADORA2AALDH1A1DPP4
SCHEMBL23581559 0.83 ADORA3 (0.57) ADORA3ADORA1ADORA2AALDH1A1DPP4
SCHEMBL31061258 0.83 ADORA3 (0.62) ADORA3ADORA1ALDH1A1DPP4KDM4E
SCHEMBL16474215 0.83 ADORA3 (0.47) ADORA3ADORA1ADORA2ABRD4RAB9A
SCHEMBL16474223 0.83 ADORA3 (0.47) ADORA3ADORA1ADORA2ABRD4MAPT
SCHEMBL31060180 0.79 ADORA3 (0.63) ADORA3ADORA1ADORA2AALDH1A1DPP4
SCHEMBL31060133 0.79 ADORA3 (0.65) ADORA3ADORA1ADORA2AALDH1A1DPP4
SCHEMBL5848855 0.72 KDM4E (0.44) ADORA3ADORA1ADORA2AALDH1A1KDM4E
SCHEMBL16147547 0.70 KMT2A (0.46) ADORA3ADORA1ADORA2AALDH1A1KDM4E
SCHEMBL31060207 0.70 ADORA3 (1.00) ADORA3ADORA1ADORA2AALDH1A1DPP4

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
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed