SCHEMBL30164827

SCHEMBL30164827

CC(C)c1cnc(I)c2cnc(Cl)cc12

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
GABRA1 P14867 3/20 0.31
GABRB1 P18505 3/20 0.31
GABRB2 P47870 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 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
SCHEMBL24826757 1.00 LMNA (0.32) LMNAP2RX3P2RX2GABRA1GABRB1
SCHEMBL23578775 0.81 LMNA (0.33) LMNAGABRA1GABRB1GABRB2GABRP
SCHEMBL24826762 0.80 LMNA (0.36) LMNAGABRA1GABRB1GABRB2GABRP
SCHEMBL30865619 0.79 SMN1; SMN2 (0.32) LMNA
SCHEMBL24970591 0.75 LMNA (0.35) LMNAGABRA1GABRB1GABRB2GABRP
SCHEMBL30848841 0.73 GLP1R (0.39)
SCHEMBL30164468 0.73 MEN1 (0.36) GABRA1GABRB1
SCHEMBL24825118 0.73 GLP1R (0.39)
SCHEMBL24813079 0.73 MEN1 (0.36) GABRA1GABRB1
SCHEMBL23593485 0.72 CSNK2A1 (0.36) LMNAGABRA1GABRB1GABRB2GABRP

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
CN-117858872-A Heterocyclic EGFR inhibitors for the treatment of cancer 缆图药品公司 2024-04-09 CN disclosed
WO-2022271612-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 WO disclosed