SCHEMBL8330358

SCHEMBL8330358

Cc1nc2n(CC(=O)c3ccccc3)cc(C(F)(F)F)cc-2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
S1PR2 O95136 1/20 0.40
MGAM O43451 1/20 0.39
AMY1A P0DUB6 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
POLB P06746 1/20 0.37
HTT P42858 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8331450 0.82 KMT2A (0.44) KMT2AMEN1MAPTMGAMAMY1A
SCHEMBL8325943 0.80 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL8329868 0.79 LMNA (0.46) KMT2AMEN1ALDH1A1MAPTMGAM
SCHEMBL27372746 0.78 KMT2A (0.41) KMT2AMEN1MAPTMGAMAMY1A
SCHEMBL8326468 0.78 KMT2A (0.41) KMT2AMEN1MAPTMGAMAMY1A
SCHEMBL8329544 0.76 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTMGAM
Hydrochloric Acid SCHEMBL8329003 0.75 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTMGAM
SCHEMBL8327565 0.72 KMT2A (0.41) KMT2AMEN1MAPTMGAMAMY1A
SCHEMBL8328067 0.69 RXFP1 (0.45) KMT2AALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL8329320 0.68 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509974-B1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof ASTRA AB (SE) 1999-01-13 EP disclosed
US-5439917-A Phenyl-pyrrolo(2,3-b)pyridine antisecretory agent of gastric acid; adenosine triphosphatase enzyme inhibitor AKTIEBOLAGET ASTRA (SE) 1995-08-08 US disclosed
EP-0580616-A1 NEW ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1994-02-02 EP disclosed
EP-0509974-A1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof Astra Aktiebolag (SE) 1992-10-21 EP disclosed
WO-1992017477-A1 NEW ACTIVE COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1992-10-15 WO disclosed