SCHEMBL28524599

SCHEMBL28524599

Cc1c(-c2cncn2C)c2ccccc2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.46
MAPK14 Q16539 1/20 0.43
LDLR P01130 1/20 0.42
PCSK9 Q8NBP7 1/20 0.42
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
PRNP P04156 1/20 0.39
PADI4 Q9UM07 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NQO2 P16083 1/20 0.39
HPGDS O60760 1/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL20670034 0.75 GPR3 (0.54) AURKAKDRAURKBLMNAKMT2A
SCHEMBL13312790 0.67 ALDH1A1 (0.59) AURKAKDRAURKBLMNAKMT2A
SCHEMBL10216426 0.67 ALDH1A1 (0.63) LMNAKMT2ASMN1; SMN2RXFP1PRNP
SCHEMBL31223937 0.67 KDM4E (0.53) AURKAKDRAURKBLMNAKMT2A
SCHEMBL7057607 0.67 IMPDH2 (0.53) LDLRPCSK9LMNAKMT2AIDO1
SCHEMBL20669941 0.65 LMNA (0.46) AURKAKDRAURKBLMNAKMT2A
SCHEMBL15920627 0.65 ALDH1A1 (0.51) AURKAKDRAURKBTDP1LMNA
SCHEMBL21939787 0.65 KDM4E (0.55) AURKAKDRAURKBLMNAKMT2A
SCHEMBL30835552 0.65 KDM4E (0.55) AURKAKDRAURKBLMNAKMT2A
SCHEMBL30901263 0.64 KDM4E (0.49) AURKAKDRAURKBLMNAKMT2A

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-112424149-B Synthesis of tipifanib 库拉肿瘤学公司 2023-06-23 CN disclosed
CN-112424149-A Synthesis of tipifarnib 库拉肿瘤学公司 2021-02-26 CN disclosed