SCHEMBL22709351

SCHEMBL22709351

CSc1nc2c(c(=O)[nH]1)CCC1(CCc3ccccc31)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 6/20 0.38
LMNA P02545 3/20 0.38
TNKS O95271 4/20 0.36
TNKS2 Q9H2K2 4/20 0.36
XDH P47989 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MMP13 P45452 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL30067618 0.94 MEN1 (0.39) MEN1KMT2AHPGDLMNATNKS
SCHEMBL24483751 0.94 MEN1 (0.39) MEN1KMT2AHPGDLMNATNKS
SCHEMBL24483074 0.93 MEN1 (0.41) MEN1KMT2AHPGDLMNATNKS
SCHEMBL30067501 0.89 MEN1 (0.39) MEN1KMT2AHPGDLMNATNKS
SCHEMBL24483735 0.86 MEN1 (0.40) MEN1KMT2AHPGDLMNATNKS
SCHEMBL24483080 0.85 HPGD (0.42) MEN1KMT2AHPGDLMNATSHR
SCHEMBL30067299 0.85 HPGD (0.42) MEN1KMT2AHPGDLMNATSHR
SCHEMBL30067702 0.84 MEN1 (0.39) MEN1KMT2AHPGDLMNATNKS
SCHEMBL30067270 0.84 HPGD (0.41) MEN1KMT2AHPGDLMNATNKS
SCHEMBL30067435 0.84 TP53 (0.41) MEN1KMT2AHPGDLMNATNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022240971-A2 KRAS G12D INHIBITORS AND USES THEREOF 1200 PHARMA LLC (US) 2022-11-17 WO disclosed
WO-2022115439-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-06-02 WO disclosed
WO-2020236940-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-11-26 WO disclosed