SCHEMBL22346237

SCHEMBL22346237

c1cc(CNc2ncnc3[nH]ccc23)ccn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.62
TTBK1 Q5TCY1 6/20 0.53
TTBK2 Q6IQ55 6/20 0.53
EGFR P00533 4/20 0.52
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
DYRK1A Q13627 1/20 0.50
PTK2 Q05397 1/20 0.49
PDE5A O76074 1/20 0.49
LMNA P02545 1/20 0.47
HPGDS O60760 1/20 0.46
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4354437 0.86 JAK2 (0.68) HDAC6TTBK1TTBK2EGFRJAK2
SCHEMBL24804993 0.85 HDAC6 (0.66) HDAC6TTBK1TTBK2EGFRJAK2
SCHEMBL17527397 0.80 TTBK1 (0.65) HDAC6TTBK1TTBK2EGFRPDE5A
SCHEMBL24805950 0.77 HDAC6 (0.60) HDAC6TTBK1TTBK2EGFRJAK2
SCHEMBL20119853 0.77 JAK2 (0.46) HDAC6EGFRJAK2JAK1PDE5A
SCHEMBL20119397 0.77 PDE5A (0.48) HDAC6TTBK1TTBK2JAK2PDE5A
SCHEMBL29833956 0.77 PDE5A (0.48) HDAC6TTBK1TTBK2JAK2PDE5A
SCHEMBL15950904 0.76 LMNA (0.47) EGFRJAK2JAK1DYRK1APTK2
SCHEMBL28762132 0.76 TTBK1 (0.56) HDAC6TTBK1TTBK2HPGDS
SCHEMBL22347023 0.75 TSHR (0.63) HDAC6EGFRDYRK1ALMNARAB9A

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-3924050-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS FOR TREATING FAMILIAL DYSAUTONOMIA PTC Therapeutics, Inc. (US) 2021-12-22 EP claimed
WO-2020167624-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS FOR TREATING FAMILIAL DYSAUTONOMIA PTC THERAPEUTICS, INC. (US) 2020-08-20 WO claimed