SCHEMBL28685487

SCHEMBL28685487

N#Cc1cnc2ccc(Br)cc2c1Cl.N#Cc1cnc2ccc(Br)cc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.41
ERBB2 P04626 7/20 0.41
SRC P12931 1/20 0.40
MALT1 Q9UDY8 1/20 0.36
PTGES O14684 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TNF P01375 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALK Q9UM73 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13976998 0.92 EGFR (0.46) EGFRERBB2SRCPTGESALK
SCHEMBL29775134 0.92 EGFR (0.46) EGFRERBB2SRCPTGESALK
SCHEMBL529236 0.92 SRC (0.44) EGFRERBB2SRCMALT1PTGES
SCHEMBL5256795 0.80 PTGES (0.48) EGFRERBB2SRCPTGESGAK
SCHEMBL19877265 0.76 SRC (0.47) EGFRERBB2SRCLMNA
SCHEMBL21143331 0.75 TNF (0.48) MALT1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL24010609 0.74 CHRM4 (0.45) EGFRERBB2SRCTNFLMNA
SCHEMBL2632169 0.74 SRC (0.44) EGFRERBB2SRCALDH1A1
SCHEMBL12928111 0.74 SRC (0.38) EGFRERBB2SRCALDH1A1
SCHEMBL27911201 0.74 MAPT (0.43) EGFRERBB2SRCCYP1A2CYP2D6

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-113993848-A Inhibitors of PAPD5 and methods of use thereof 儿童医学中心公司 2022-01-28 CN disclosed