SCHEMBL29474142

SCHEMBL29474142

CC(O)c1c(F)c(Cl)c(Br)c2cnn(C3CCCCO3)c12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
RET P07949 3/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
IDH1 O75874 1/20 0.31
KDM5B Q9UGL1 1/20 0.30
FLT3 P36888 1/20 0.30
YTHDC1 Q96MU7 1/20 0.30

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
SCHEMBL24305684 1.00 CYP4F2 (0.37) CYP4F2CYP4A11RETALDH1A1LMNA
SCHEMBL29474138 0.85 CYP4F2 (0.32) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL28811421 0.85 CYP4F2 (0.32) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24305685 0.84 CYP4F2 (0.32) CYP4F2CYP4A11RETIDH1
SCHEMBL24274352 0.84 CYP4F2 (0.38) CYP4F2CYP4A11RETALDH1A1LMNA
SCHEMBL30556601 0.82 RET (0.31) RET
SCHEMBL26118614 0.82 RET (0.31) RET
SCHEMBL26118618 0.82 RET (0.31) RET
SCHEMBL26118624 0.82 RET (0.31) RET
SCHEMBL24305683 0.82 CYP4F2 (0.38) CYP4F2CYP4A11RETALDH1A1LMNA

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-114599651-A Indazoles as inhibitors of hematopoietic progenitor kinase 1(HPK1) and methods of use thereof 第一生物治疗股份有限公司 2022-06-07 CN disclosed
WO-2022064459-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS OF USING SAME 1ST Biotherapeutics, Inc. (KR) 2022-03-31 WO disclosed