SCHEMBL7846652

SCHEMBL7846652

Nc1nc2[nH]cc(-c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.51
ALDH1A1 P00352 1/20 0.46
TYMS P04818 5/20 0.46
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
QTRT1 Q9BXR0 1/20 0.45
DYRK1A Q13627 1/20 0.44
LRRK2 Q5S007 2/20 0.44
GRM5 P41594 1/20 0.44
PARP1 P09874 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
SCHEMBL6352234 0.76 PNP (0.60) XDHFGFR1FGFR2
SCHEMBL24603099 0.76 XDH (0.56) XDHTYMSFGFR1FGFR2QTRT1
SCHEMBL22967337 0.74 TYMS (0.59) TYMS
SCHEMBL18520454 0.74 DYRK1A (0.47) ALDH1A1TYMSDYRK1A
SCHEMBL20911745 0.73 NPC1 (0.54) ALDH1A1FGFR1DYRK1ALRRK2PARP1
SCHEMBL12884842 0.72 TYMS (0.46) ALDH1A1TYMSDYRK1A
SCHEMBL12820951 0.72 DYRK1A (0.46) TYMSDYRK1A
SCHEMBL15061831 0.72 TYMS (0.48) ALDH1A1TYMSDYRK1A
SCHEMBL24704369 0.72 DYRK1A (0.46) ALDH1A1TYMSDYRK1A
SCHEMBL22227944 0.72 TYMS (0.50) TYMSDYRK1A

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
EP-1105396-A1 PROCESS FOR THE PREPARATION OF PYRROLO[2,3-D]PYRIMIDINES The Trustees of Princeton University (US) 2001-06-13 EP disclosed
US-6066732-A Process for the preparation of pyrrolo[2,3-d]pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-05-23 US disclosed
WO-2000011004-A1 PROCESS FOR THE PREPARATION OF PYRROLO[2,3-D]PYRIMIDINES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-03-02 WO disclosed