SCHEMBL25001992

SCHEMBL25001992

CCOC(=O)c1cn(Cc2ccccc2)c(=N)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 4/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
F2RL3 Q96RI0 1/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.44
TRPC5 Q9UL62 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CYP19A1 P11511 1/20 0.43
P2RX7 Q99572 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
Bromide SCHEMBL30168278 0.99 ALDH1A1 (0.49) ALDH1A1MAPK1LMNACRHBPCRHR2
SCHEMBL25001991 0.75 ADRA1D (0.33) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
Bromide SCHEMBL962929 0.75 HDAC3 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL29339719 0.73 ALDH1A1 (0.53) ALDH1A1MAPK1LMNACRHBPCRHR2
SCHEMBL18295094 0.71 F2RL3 (0.56) ALDH1A1MAPK1LMNACRHBPCRHR2
SCHEMBL1562627 0.71 SMN1; SMN2 (0.54) ALDH1A1MAPK1LMNACRHBPCRHR2
SCHEMBL27677805 0.71 CRHBP (0.56) ALDH1A1MAPK1LMNACRHBPCRHR2
SCHEMBL23727916 0.71 TSHR (0.58) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL11557647 0.71 ALDH1A1 (0.60) ALDH1A1LMNACRHBPCRHR2F2RL3
SCHEMBL15848888 0.71 EPHX2 (0.57) ALDH1A1MAPK1LMNACRHBPCRHR2

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
WO-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 WO disclosed
WO-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 WO disclosed