SCHEMBL27508181

SCHEMBL27508181

CNc1cc(NC)c(-c2cccc3c(Br)cc(C)nc23)c(NC)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CRHR1 P34998 11/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
NUDT1 P36639 1/20 0.34
NR4A2 P43354 1/20 0.34
CD38 P28907 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL27476315 0.84 GAA (0.38) GAAMAPTCRHR1MEN1KMT2A
SCHEMBL27450019 0.84 CRHR1 (0.54) MAPTCRHR1MEN1KMT2ATP53
SCHEMBL27451382 0.79 CRHR1 (0.55) CRHR1NR4A2
SCHEMBL27489800 0.77 CRHR1 (0.38) CRHR1MEN1KMT2ANR4A2KDM4E
SCHEMBL6093075 0.76 CRHR1 (0.60) GAAMAPTCRHR1MEN1KMT2A
SCHEMBL27468681 0.74 CRHR1 (0.69) CRHR1
SCHEMBL27466339 0.73 CRHR1 (0.35) MAPTCRHR1MEN1KMT2ANR4A2
Hydrochloric Acid SCHEMBL27771297 0.73 MEN1 (0.33) MEN1KMT2A
Hydrochloric Acid SCHEMBL27771375 0.71 MEN1 (0.33) MAPTMEN1KMT2ATP53NUDT1
SCHEMBL7219924 0.70 TP53 (0.54) GAAMAPTMEN1KMT2ATP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1191236-C Substituted 6,6-Hetero-dicycloderivative PFIZER (US) 2005-03-02 CN disclosed
CN-1138774-C Substituted 6, 6-hetero-bicyclic derivatives 2004-02-18 CN disclosed
CN-1367169-A Substituted 6,6-Hetero-dicycloderivative PFIZER (US) 2002-09-04 CN disclosed
CN-1228091-A Substituted 6, 6-hetero-bicyclic derivatives PFIZER (US) 1999-09-08 CN disclosed