SCHEMBL5229378

SCHEMBL5229378

O=C1N(c2ccccc2Cl)Cc2cnc(SCc3ccccc3)nc2N1CCN1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 4/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1D P25100 1/20 0.35
HTR1A P08908 4/20 0.35
EGFR P00533 3/20 0.35
CSF1R P07333 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
LTA4H P09960 1/20 0.35
PAK4 O96013 1/20 0.34
ALB P02768 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL14370842 0.89 RXFP1 (0.37) ADRA1BADRA1AADRA1DEGFRCSF1R
SCHEMBL5229797 0.86 EGFR (0.37) EGFRCSF1RMEN1KMT2APPARG
SCHEMBL5231582 0.85 RXFP1 (0.40) MEN1KMT2APPARGNCOA2NCOA1
SCHEMBL5233245 0.84 LCK (0.40) EGFRCSF1RMEN1KMT2APPARG
SCHEMBL5234557 0.84 MEN1 (0.36) EGFRCSF1RMEN1KMT2APPARG
SCHEMBL5228380 0.82 TP53 (0.39) ADRA1BADRA1AADRA1DEGFRCSF1R
SCHEMBL5233685 0.81 RXFP1 (0.40) EGFRCSF1RMEN1KMT2APPARG
SCHEMBL5232637 0.80 SMN1; SMN2 (0.45) MEN1KMT2ARXFP1ALDH1A1TSHR
SCHEMBL5768660 0.78 EGFR (0.43) EGFRCSF1RHTR2AHTR2C
SCHEMBL29894138 0.78 EGFR (0.43) EGFRCSF1RHTR2AHTR2C

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
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-6451804-B1 Heteroalkylamino-substituted bicyclic nitrogen heterocycles SYNTEX (U.S.A.) LLC 2002-09-17 US disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 EP disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed