SCHEMBL24456331

SCHEMBL24456331

COCCOCCOc1cc(C)c(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 4/20 0.35
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
AVPR2 P30518 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31

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
SCHEMBL24455989 1.00 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL24456633 1.00 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL24456521 1.00 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL24456371 1.00 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL1458970 0.95 PIK3CA (0.38) L3MBTL1SMN1; SMN2ALDH1A1PIK3CDPIK3CA
SCHEMBL24456135 0.81 ALDH1A1 (0.33) L3MBTL1SMN1; SMN2ALDH1A1MAPTPIK3CD
SCHEMBL9936717 0.80 GABRP (0.42) L3MBTL1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL20870267 0.78 UHRF1 (0.47) LMNAPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL1459785 0.75 GABRA1 (0.39) L3MBTL1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL16783037 0.75 HTR7 (0.47) MAPTKDM4ECYP1A2CYP2D6CYP2C19

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-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed