SCHEMBL29528751

SCHEMBL29528751

NC(=O)c1cn2cnccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
EGLN1 Q9GZT9 2/20 0.36
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
RET P07949 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36

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
SCHEMBL29528695 0.84 PTGS1 (0.57) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL29528858 0.82 MAPT (0.61) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL7573834 0.78 KMT2A (0.47) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL16039101 0.76 KDM4E (0.60) MAPTCYP1A2NPC1RAB9AKDM4E
SCHEMBL16104299 0.74 CLK1 (0.55) TGFBR1PTGS1PTGS2MAPTCYP1A2
SCHEMBL30845741 0.74 EGLN1 (0.52) TGFBR1PTGS1PTGS2MAPTCYP1A2
SCHEMBL8065354 0.74 TGFBR1 (0.50) TGFBR1PTGS1PTGS2MAPTEGLN1
SCHEMBL17512464 0.74 TGFBR1 (0.44) TGFBR1PTGS1PTGS2MAPTCYP1A2
SCHEMBL174711 0.74 PTGS1 (0.72) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL3764713 0.72 HRH4 (0.57) TGFBR1MAPTEGLN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112004816-B PRC2 inhibitors 米拉蒂医疗股份有限公司 2024-01-05 CN disclosed
WO-2023049723-A1 PRC2 INHIBITORS FOR USE IN TREATING BLOOD DISORDERS ORIC PHARMACEUTICALS, INC. (US) 2023-03-30 WO disclosed
CN-114269748-A Imidazo [1,2-c ] pyrimidine derivatives as PRC2 inhibitors for the treatment of cancer 米拉蒂医疗股份有限公司 2022-04-01 CN disclosed