SCHEMBL20038437

SCHEMBL20038437

N#CCN1CCN(Cc2ccc(I)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ TRPV6 Q9H1D0 1/20 0.34

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
SCHEMBL20037557 0.82 LTA4H (0.42) LTA4HPOLBMEN1KMT2AATM
SCHEMBL20038438 0.82 POLB (0.45) LTA4HPOLBMEN1KMT2AATM
SCHEMBL20255426 0.80 LMNA (0.53) MEN1KMT2AATMHRH3ALDH1A1
SCHEMBL20037892 0.80 ALDH1A1 (0.54) POLBMEN1KMT2AATMALDH1A1
SCHEMBL4591964 0.79 HRH3 (0.59) POLBHRH3ALDH1A1CHRNB2CHRNA4
SCHEMBL20249393 0.78 RET (0.44) LTA4HPOLBMEN1KMT2AATM
SCHEMBL20037924 0.77 ALDH1A1 (0.43) MEN1KMT2AATMHRH3ALDH1A1
SCHEMBL18291437 0.77 ALDH1A1 (0.50) POLBMEN1KMT2AATMHRH3
SCHEMBL20037948 0.77 HRH3 (0.43) MEN1KMT2AATMHRH3ALDH1A1
SCHEMBL18291020 0.76 CXCR4 (0.51) MEN1KMT2AHRH3TDP1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 — — EP disclosed
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