SCHEMBL30965374

SCHEMBL30965374

COc1cc(Nc2ncc(Cl)c(Nc3cnn(C)c3)n2)ccc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.70
ALK Q9UM73 3/20 0.61
INSR P06213 2/20 0.61
IGF1R P08069 2/20 0.61
FGFR3 P22607 9/20 0.60
BRD4 O60885 3/20 0.59
FGFR1 P11362 1/20 0.56
FGFR2 P21802 1/20 0.56
FGFR4 P22455 1/20 0.56
KDR P35968 1/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL30965381 0.92 EGFR (0.68) EGFRALKINSRIGF1R
SCHEMBL30965382 0.86 ALK (0.82) EGFRALKINSRIGF1RFGFR3
SCHEMBL28691226 0.83 EGFR (1.00) EGFRALKINSRIGF1RFGFR3
SCHEMBL29037794 0.82 EGFR (0.65) EGFRALKINSRIGF1RFGFR3
SCHEMBL30965394 0.81 ALK (0.69) EGFRALKINSRIGF1RFGFR3
SCHEMBL18912619 0.80 FGFR3 (0.74) EGFRFGFR3FGFR1FGFR2FGFR4
SCHEMBL22104574 0.80 EGFR (0.75) EGFRALKINSRIGF1RFGFR3
SCHEMBL30556273 0.80 EGFR (0.75) EGFRALKINSRIGF1RFGFR3
SCHEMBL25159176 0.80 EGFR (0.63) EGFRALKINSRIGF1RFGFR3
SCHEMBL30965380 0.79 EGFR (0.67) EGFRALKINSRIGF1R

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
CN-118221696-A Pyrimidine heterocyclic compound containing N-methylpiperazine structure, and preparation method and application thereof 潍坊医学院 2024-06-21 CN disclosed