SCHEMBL9583174

SCHEMBL9583174

CNc1nc(N(c2ccc(OC)cc2)C(c2ccccc2)c2ccccc2)nc2c1ncn2COC(CO)COC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 9/20 0.38
CCNE1 P24864 9/20 0.38
CDK2 P24941 9/20 0.38
YTHDC1 Q96MU7 3/20 0.34
PDE4D Q08499 2/20 0.33
CCNT1 O60563 1/20 0.33
PDE5A O76074 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ADORA2A P29274 1/20 0.33
MERTK Q12866 1/20 0.32
CTSL P07711 2/20 0.32

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
SCHEMBL9583307 0.90 CCNE2 (0.33) CCNE2CCNE1CDK2MEN1ALDH1A1
SCHEMBL9584271 0.90 CCNE2 (0.33) CCNE2CCNE1CDK2MEN1ALDH1A1
SCHEMBL9583830 0.88 CCNE2 (0.32) CCNE2CCNE1CDK2MEN1ALDH1A1
SCHEMBL9584437 0.86 CDK2 (0.38) CCNE2CCNE1CDK2YTHDC1PDE4D
SCHEMBL9583375 0.86 YTHDC1 (0.48) YTHDC1
SCHEMBL9584071 0.85 ALDH1A1 (0.32) CCNE2CCNE1CDK2MEN1ALDH1A1
SCHEMBL9583185 0.84 TYMP (0.30) TYMP
SCHEMBL9583053 0.84 MEN1 (0.32) YTHDC1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9583546 0.83 PDE4A (0.43) PDE4DPDE5ACDK1CCNB1PDE4A
SCHEMBL9583074 0.83 HPGD (0.36) ADORA2ATYMP

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
US-5250535-A Herpes virus; nontoxic; side effect reduction; humans and veterinary medicine SYNTEX INC. (US) 1993-10-05 US disclosed
US-4803271-A Process for preparing guanine derivatives SYNTEX (U.S.A.) INC. (US) 1989-02-07 US disclosed
US-4612314-A Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl) purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1986-09-16 US disclosed
EP-0085424-A2 Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl)purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-08-10 EP disclosed