SCHEMBL30665271

SCHEMBL30665271

c1ccc2c(c1)cnc1ccc3n[nH]cc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
GPR3 P46089 1/20 0.47
PIM1 P11309 4/20 0.36
TYMS P04818 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDPK1 O15530 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
PIM3 Q86V86 1/20 0.33
TOP2A P11388 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL2048246 0.82 PDPK1 (0.47) KDM4EGPR3TYMSNPC1RAB9A
SCHEMBL10999649 0.81 TYMS (0.46) KDM4ETYMSNPC1RAB9ALMNA
SCHEMBL159416 0.80 KDM4E (0.59) KDM4EGPR3TYMSNPC1RAB9A
SCHEMBL31684807 0.80 KDM4E (0.59) KDM4EGPR3TYMSNPC1RAB9A
Hydrochloric Acid SCHEMBL9110426 0.78 KDM4E (0.57) KDM4EGPR3TYMSNPC1RAB9A
SCHEMBL8763443 0.76 ALDH1A1 (0.52) KDM4EGPR3TYMSNPC1RAB9A
SCHEMBL29780666 0.74 CYP3A4 (0.58) KDM4EGPR3NPC1RAB9ALMNA
SCHEMBL5741090 0.74 KDM4E (0.52) KDM4EGPR3PIM1NPC1RAB9A
SCHEMBL253096 0.73 GPR3 (0.50) KDM4EGPR3MAPTSMN1; SMN2PDPK1
SCHEMBL30539895 0.73 GPR3 (0.50) KDM4EGPR3MAPTSMN1; SMN2PDPK1

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
EP-4532471-A2 4-(3H-PYRAZOLO[4,3-F]QUINOLIN-7-YL)-N-(2-(DIMETHYLAMINO)ETHYL)BENZAMIDE- OR HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Purdue Research Foundation (US) 2025-04-09 EP disclosed
WO-2023235837-A2 4-(3H-PYRAZOLO[4,3-F]QUINOLIN-7-YL)-N-(2-(DIMETHYLAMINO)ETHYL)BENZAMIDE- OR HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS, AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2023-12-07 WO disclosed