SCHEMBL29387336

SCHEMBL29387336

O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.79
ERBB2 P04626 15/20 0.79
ABL1 P00519 4/20 0.79
INSR P06213 4/20 0.79
PDGFRB P09619 4/20 0.79
CDK2 P24941 4/20 0.79
PLK1 P53350 3/20 0.79
HDAC3 O15379 2/20 0.79
HDAC4 P56524 2/20 0.79
HDAC1 Q13547 2/20 0.79
HDAC7 Q8WUI4 2/20 0.79
HDAC2 Q92769 2/20 0.79
HDAC10 Q969S8 2/20 0.79
HDAC11 Q96DB2 2/20 0.79
HDAC8 Q9BY41 2/20 0.79
HDAC6 Q9UBN7 2/20 0.79
HDAC9 Q9UKV0 2/20 0.79
HDAC5 Q9UQL6 2/20 0.79
MEN1 O00255 1/20 0.71
PIK3C2B O00750 1/20 0.71

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
SCHEMBL142106 1.00 EGFR (0.79) EGFRERBB2ABL1INSRPDGFRB
Hydrochloric Acid SCHEMBL2511570 0.99 EGFR (0.78) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL1448581 0.94 EGFR (0.77) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL12727551 0.93 EGFR (0.69) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL15000311 0.92 EGFR (0.68) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3326173 0.92 EGFR (0.68) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3009979 0.91 EGFR (0.69) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL142111 0.91 EGFR (0.68) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL12719625 0.91 EGFR (0.66) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL13966850 0.91 EGFR (0.68) EGFRERBB2ABL1INSRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184927-A Polymer material carrier, preparation method thereof, polymer material carrier supported palladium nanoparticle and application 河北科技大学 2024-06-14 CN claimed
WO-2022029795-A1 An environment friendly process for the preparation of Lapatinib Ditosylate of Formula 1(b) SUMAR BIOTECH LLP (IN) 2022-02-10 WO claimed
CN-118184927-A Polymer material carrier, preparation method thereof, polymer material carrier supported palladium nanoparticle and application 河北科技大学 2024-06-14 CN disclosed
WO-2022029795-A1 An environment friendly process for the preparation of Lapatinib Ditosylate of Formula 1(b) SUMAR BIOTECH LLP (IN) 2022-02-10 WO disclosed