SCHEMBL26524850

SCHEMBL26524850

C=NC(=C)N(C(=O)NC)c1ccccc1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
RECQL P46063 1/20 0.32
NLRP3 Q96P20 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL26525002 0.80 NLRP3 (0.35) LMNAKMT2ANLRP3SMN1; SMN2
SCHEMBL11542153 0.73 LMNA (0.38) LMNAKMT2AGABRA1GABRB2NLRP3
SCHEMBL24704695 0.70 KMT2A (0.36) LMNAKMT2AGABRA1GABRB2NLRP3
SCHEMBL24502399 0.68
SCHEMBL25783337 0.64 GABRA1 (0.48) LMNAKMT2AGABRA1GABRB2SMN1; SMN2
SCHEMBL27873162 0.64 LMNA (0.38) LMNAKMT2AGABRA1GABRB2SMN1; SMN2
SCHEMBL3723323 0.62 GABRA1 (0.42) LMNAKMT2AGABRA1GABRB2POLB
SCHEMBL78109 0.62 SIGMAR1 (0.42) LMNAKMT2AGABRA1GABRB2SMN1; SMN2
SCHEMBL2624369 0.62 TSPO (0.49) LMNAKMT2AGABRA1GABRB2SMN1; SMN2
SCHEMBL24193546 0.62 KMT2A (0.37) LMNAKMT2AGABRA1GABRB2SMN1; SMN2

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
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed