SCHEMBL29801076

SCHEMBL29801076

Cc1ncccc1CNC(=O)c1ccc(Br)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.48
▸ KMT2A Q03164 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ HPGDS O60760 2/20 0.44
▸ MAPK8 P45983 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CA2 P00918 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL24976786 1.00 PIK3CA (0.48) PIK3CAKMT2ACYP2C9NAMPTHPGDS
SCHEMBL29801063 0.83 THRB (0.57) PIK3CAKMT2ACYP2C9ALDH1A1HPGD
SCHEMBL17888306 0.82 PIK3CA (0.55) PIK3CAKMT2ACYP2C9NAMPTALDH1A1
SCHEMBL17886678 0.79 LMNA (0.59) PIK3CAKMT2ANAMPTALDH1A1HDAC6
SCHEMBL21077877 0.78 RAB9A (0.52) PIK3CAKMT2ACYP2C9NAMPTALDH1A1
SCHEMBL28844093 0.77 P2RX7 (0.50) PIK3CAKMT2ACYP2C9NAMPTMAPK8
SCHEMBL29801234 0.76 MEN1 (0.64) KMT2ANAMPTALDH1A1HPGDHDAC1
SCHEMBL24685295 0.76 MEN1 (0.64) KMT2ANAMPTALDH1A1HPGDHDAC1
SCHEMBL13731868 0.76 CYP2C9 (0.59) PIK3CAKMT2ACYP2C9NAMPTALDH1A1
SCHEMBL30421108 0.74 CYP2C9 (0.54) PIK3CAKMT2ACYP2C9NAMPTL3MBTL1

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-119930509-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2025-05-06 — — CN disclosed
CN-114929672-B Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2025-01-21 — — CN disclosed
EP-4055008-A1 CANCER TREATMENTS TARGETING CANCER STEM CELLS Remedy Plan, Inc. (US) 2022-09-14 — — EP disclosed
CN-114929672-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2022-08-19 — — CN disclosed
Send feedback